data_16066_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16066
_Entry.PDB_ID 2KC9
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 16 . 1 1 1 A 5 5 ALA H H 2 8.084 8.767 -0.683 1
1 17 . 1 1 1 A 5 5 ALA HA H 2 4.423 5.361 -0.938 1
1 21 . 1 1 1 A 5 5 ALA C C 2 176.536 175.288 1.248 1
1 22 . 1 1 1 A 5 5 ALA CA C 2 51.634 50.296 1.338 1
1 23 . 1 1 1 A 5 5 ALA CB C 2 19.439 22.399 -2.960 1
1 24 . 1 1 1 A 5 5 ALA N N 2 125.284 128.155 -2.871 1
1 25 . 1 1 1 A 6 6 TYR H H 3 8.406 9.210 -0.804 1
1 26 . 1 1 1 A 6 6 TYR HA H 3 4.312 4.734 -0.422 1
1 33 . 1 1 1 A 6 6 TYR C C 3 175.433 175.336 0.097 1
1 34 . 1 1 1 A 6 6 TYR CA C 3 57.701 56.496 1.205 1
1 35 . 1 1 1 A 6 6 TYR CB C 3 39.701 41.986 -2.285 1
1 36 . 1 1 1 A 6 6 TYR N N 3 120.887 119.576 1.311 1
1 37 . 1 1 1 A 7 7 PHE H H 4 8.703 8.818 -0.115 1
1 38 . 1 1 1 A 7 7 PHE HA H 4 4.645 5.038 -0.393 1
1 45 . 1 1 1 A 7 7 PHE C C 4 173.812 174.495 -0.683 1
1 46 . 1 1 1 A 7 7 PHE CA C 4 56.853 57.651 -0.798 1
1 47 . 1 1 1 A 7 7 PHE CB C 4 40.541 41.330 -0.789 1
1 48 . 1 1 1 A 7 7 PHE N N 4 119.295 119.688 -0.393 1
1 49 . 1 1 1 A 8 8 LEU H H 5 8.255 8.691 -0.436 1
1 50 . 1 1 1 A 8 8 LEU HA H 5 4.985 5.250 -0.265 1
1 60 . 1 1 1 A 8 8 LEU C C 5 174.927 174.204 0.723 1
1 61 . 1 1 1 A 8 8 LEU CA C 5 53.544 53.368 0.176 1
1 62 . 1 1 1 A 8 8 LEU CB C 5 44.201 46.155 -1.954 1
1 66 . 1 1 1 A 8 8 LEU N N 5 124.516 121.995 2.521 1
1 67 . 1 1 1 A 9 9 ASP H H 6 9.047 9.039 0.008 1
1 68 . 1 1 1 A 9 9 ASP HA H 6 5.089 5.517 -0.428 1
1 71 . 1 1 1 A 9 9 ASP C C 6 173.216 173.842 -0.626 1
1 72 . 1 1 1 A 9 9 ASP CA C 6 52.278 52.772 -0.494 1
1 73 . 1 1 1 A 9 9 ASP CB C 6 45.326 45.404 -0.078 1
1 74 . 1 1 1 A 9 9 ASP N N 6 126.171 124.754 1.417 1
1 75 . 1 1 1 A 10 10 PHE H H 7 8.891 8.702 0.189 1
1 76 . 1 1 1 A 10 10 PHE HA H 7 4.545 4.610 -0.065 1
1 83 . 1 1 1 A 10 10 PHE C C 7 175.218 174.173 1.045 1
1 84 . 1 1 1 A 10 10 PHE CA C 7 56.243 56.213 0.030 1
1 85 . 1 1 1 A 10 10 PHE CB C 7 43.638 42.416 1.222 1
1 86 . 1 1 1 A 10 10 PHE N N 7 119.178 120.650 -1.472 1
1 87 . 1 1 1 A 11 11 ASP H H 8 8.124 8.239 -0.115 1
1 88 . 1 1 1 A 11 11 ASP HA H 8 4.551 4.806 -0.255 1
1 91 . 1 1 1 A 11 11 ASP C C 8 177.157 177.301 -0.144 1
1 92 . 1 1 1 A 11 11 ASP CA C 8 54.315 54.334 -0.019 1
1 93 . 1 1 1 A 11 11 ASP CB C 8 44.201 42.727 1.474 1
1 94 . 1 1 1 A 11 11 ASP N N 8 123.305 123.806 -0.501 1
1 95 . 1 1 1 A 12 12 GLU H H 9 9.197 9.009 0.188 1
1 96 . 1 1 1 A 12 12 GLU HA H 9 4.016 4.094 -0.078 1
1 101 . 1 1 1 A 12 12 GLU C C 9 178.880 178.769 0.111 1
1 102 . 1 1 1 A 12 12 GLU CA C 9 60.365 59.071 1.294 1
1 103 . 1 1 1 A 12 12 GLU CB C 9 29.670 29.160 0.510 1
1 105 . 1 1 1 A 12 12 GLU N N 9 127.082 123.420 3.662 1
1 106 . 1 1 1 A 13 13 ARG H H 10 8.949 8.281 0.668 1
1 107 . 1 1 1 A 13 13 ARG HA H 10 4.097 4.077 0.020 1
1 114 . 1 1 1 A 13 13 ARG C C 10 179.273 178.937 0.336 1
1 115 . 1 1 1 A 13 13 ARG CA C 10 58.924 59.157 -0.233 1
1 116 . 1 1 1 A 13 13 ARG CB C 10 30.138 30.266 -0.128 1
1 119 . 1 1 1 A 13 13 ARG N N 10 119.265 119.171 0.094 1
1 120 . 1 1 1 A 14 14 ALA H H 11 7.451 8.160 -0.709 1
1 121 . 1 1 1 A 14 14 ALA HA H 11 4.685 4.186 0.499 1
1 125 . 1 1 1 A 14 14 ALA C C 11 179.564 179.982 -0.418 1
1 126 . 1 1 1 A 14 14 ALA CA C 11 53.705 55.055 -1.350 1
1 127 . 1 1 1 A 14 14 ALA CB C 11 18.325 18.177 0.148 1
1 128 . 1 1 1 A 14 14 ALA N N 11 122.421 122.035 0.386 1
1 129 . 1 1 1 A 15 15 LEU H H 12 8.683 8.305 0.378 1
1 130 . 1 1 1 A 15 15 LEU HA H 12 3.877 3.902 -0.025 1
1 140 . 1 1 1 A 15 15 LEU C C 12 178.550 179.713 -1.163 1
1 141 . 1 1 1 A 15 15 LEU CA C 12 57.139 57.595 -0.456 1
1 142 . 1 1 1 A 15 15 LEU CB C 12 41.103 41.272 -0.169 1
1 146 . 1 1 1 A 15 15 LEU N N 12 120.118 119.018 1.100 1
1 147 . 1 1 1 A 16 16 LYS H H 13 7.345 7.807 -0.462 1
1 148 . 1 1 1 A 16 16 LYS HA H 13 3.995 3.946 0.049 1
1 157 . 1 1 1 A 16 16 LYS C C 13 179.678 179.798 -0.120 1
1 158 . 1 1 1 A 16 16 LYS CA C 13 59.700 60.468 -0.768 1
1 159 . 1 1 1 A 16 16 LYS CB C 13 32.388 32.077 0.311 1
1 163 . 1 1 1 A 16 16 LYS N N 13 117.725 118.508 -0.783 1
1 164 . 1 1 1 A 17 17 GLU H H 14 7.453 7.735 -0.282 1
1 165 . 1 1 1 A 17 17 GLU HA H 14 4.016 4.104 -0.088 1
1 170 . 1 1 1 A 17 17 GLU C C 14 179.589 179.064 0.525 1
1 171 . 1 1 1 A 17 17 GLU CA C 14 58.841 59.164 -0.323 1
1 172 . 1 1 1 A 17 17 GLU CB C 14 29.298 29.337 -0.039 1
1 174 . 1 1 1 A 17 17 GLU N N 14 118.019 119.748 -1.729 1
1 175 . 1 1 1 A 18 18 TRP H H 15 9.081 8.734 0.347 1
1 176 . 1 1 1 A 18 18 TRP HA H 15 4.174 4.211 -0.037 1
1 183 . 1 1 1 A 18 18 TRP C C 15 178.360 178.445 -0.085 1
1 184 . 1 1 1 A 18 18 TRP CA C 15 59.938 61.179 -1.241 1
1 185 . 1 1 1 A 18 18 TRP CB C 15 30.241 29.361 0.880 1
1 186 . 1 1 1 A 18 18 TRP N N 15 122.628 122.023 0.605 1
1 188 . 1 1 1 A 19 19 ARG H H 16 8.197 8.228 -0.031 1
1 189 . 1 1 1 A 19 19 ARG HA H 16 3.863 4.174 -0.311 1
1 196 . 1 1 1 A 19 19 ARG C C 16 177.030 178.959 -1.929 1
1 197 . 1 1 1 A 19 19 ARG CA C 16 58.516 58.684 -0.168 1
1 198 . 1 1 1 A 19 19 ARG CB C 16 30.300 30.021 0.279 1
1 201 . 1 1 1 A 19 19 ARG N N 16 115.582 118.520 -2.938 1
1 202 . 1 1 1 A 20 20 LYS H H 17 7.308 7.526 -0.218 1
1 203 . 1 1 1 A 20 20 LYS HA H 17 4.238 4.094 0.144 1
1 212 . 1 1 1 A 20 20 LYS C C 17 177.043 177.201 -0.158 1
1 213 . 1 1 1 A 20 20 LYS CA C 17 56.270 59.125 -2.855 1
1 214 . 1 1 1 A 20 20 LYS CB C 17 32.300 31.920 0.380 1
1 218 . 1 1 1 A 20 20 LYS N N 17 116.689 119.524 -2.835 1
1 219 . 1 1 1 A 21 21 LEU H H 18 6.998 7.482 -0.484 1
1 220 . 1 1 1 A 21 21 LEU HA H 18 4.026 3.976 0.050 1
1 230 . 1 1 1 A 21 21 LEU C C 18 177.676 177.302 0.374 1
1 231 . 1 1 1 A 21 21 LEU CA C 18 54.567 55.285 -0.718 1
1 232 . 1 1 1 A 21 21 LEU CB C 18 43.357 42.182 1.175 1
1 236 . 1 1 1 A 21 21 LEU N N 18 118.778 120.425 -1.647 1
1 237 . 1 1 1 A 22 22 GLY H H 19 8.370 8.261 0.109 1
1 238 . 1 1 1 A 22 22 GLY HA2 H 19 4.064 3.910 0.154 1
1 239 . 1 1 1 A 22 22 GLY HA3 H 19 3.845 3.952 -0.107 1
1 240 . 1 1 1 A 22 22 GLY C C 19 174.813 174.921 -0.108 1
1 241 . 1 1 1 A 22 22 GLY CA C 19 45.045 45.519 -0.474 1
1 242 . 1 1 1 A 22 22 GLY N N 19 107.490 109.921 -2.431 1
1 243 . 1 1 1 A 23 23 SER H H 20 8.675 8.759 -0.084 1
1 244 . 1 1 1 A 23 23 SER HA H 20 4.288 3.968 0.320 1
1 247 . 1 1 1 A 23 23 SER CA C 20 58.981 62.487 -3.506 1
1 248 . 1 1 1 A 23 23 SER CB C 20 63.045 62.694 0.351 1
1 249 . 1 1 1 A 23 23 SER N N 20 117.877 118.313 -0.436 1
1 250 . 1 1 1 A 24 24 THR H H 21 8.216 7.880 0.336 1
1 251 . 1 1 1 A 24 24 THR HA H 21 3.983 3.942 0.041 1
1 256 . 1 1 1 A 24 24 THR C C 21 176.510 176.900 -0.390 1
1 257 . 1 1 1 A 24 24 THR CA C 21 65.858 66.096 -0.238 1
1 258 . 1 1 1 A 24 24 THR CB C 21 67.941 68.250 -0.309 1
1 260 . 1 1 1 A 24 24 THR N N 21 115.680 117.419 -1.739 1
1 261 . 1 1 1 A 25 25 VAL H H 22 7.143 7.851 -0.708 1
1 262 . 1 1 1 A 25 25 VAL HA H 22 3.545 3.435 0.110 1
1 270 . 1 1 1 A 25 25 VAL C C 22 177.613 177.700 -0.087 1
1 271 . 1 1 1 A 25 25 VAL CA C 22 65.577 66.537 -0.960 1
1 272 . 1 1 1 A 25 25 VAL CB C 22 31.544 31.385 0.159 1
1 275 . 1 1 1 A 25 25 VAL N N 22 122.443 121.849 0.594 1
1 276 . 1 1 1 A 26 26 ARG H H 23 7.840 8.264 -0.424 1
1 277 . 1 1 1 A 26 26 ARG HA H 23 3.156 3.541 -0.385 1
1 284 . 1 1 1 A 26 26 ARG C C 23 177.790 178.280 -0.490 1
1 285 . 1 1 1 A 26 26 ARG CA C 23 59.951 58.385 1.566 1
1 286 . 1 1 1 A 26 26 ARG CB C 23 29.590 28.952 0.638 1
1 289 . 1 1 1 A 26 26 ARG N N 23 119.146 119.734 -0.588 1
1 290 . 1 1 1 A 27 27 GLU H H 24 8.159 8.416 -0.257 1
1 291 . 1 1 1 A 27 27 GLU HA H 24 3.970 4.060 -0.090 1
1 296 . 1 1 1 A 27 27 GLU C C 24 179.577 179.371 0.206 1
1 297 . 1 1 1 A 27 27 GLU CA C 24 59.400 59.051 0.349 1
1 298 . 1 1 1 A 27 27 GLU CB C 24 29.013 29.294 -0.281 1
1 300 . 1 1 1 A 27 27 GLU N N 24 116.672 118.615 -1.943 1
1 301 . 1 1 1 A 28 28 GLN H H 25 7.693 7.572 0.121 1
1 302 . 1 1 1 A 28 28 GLN HA H 25 4.094 4.061 0.033 1
1 309 . 1 1 1 A 28 28 GLN C C 25 179.919 179.359 0.560 1
1 310 . 1 1 1 A 28 28 GLN CA C 25 59.108 58.630 0.478 1
1 311 . 1 1 1 A 28 28 GLN CB C 25 29.575 28.315 1.260 1
1 313 . 1 1 1 A 28 28 GLN N N 25 118.482 118.551 -0.069 1
1 315 . 1 1 1 A 29 29 LEU H H 26 8.441 8.297 0.144 1
1 316 . 1 1 1 A 29 29 LEU HA H 26 4.096 4.101 -0.005 1
1 326 . 1 1 1 A 29 29 LEU C C 26 178.804 179.422 -0.618 1
1 327 . 1 1 1 A 29 29 LEU CA C 26 57.983 58.085 -0.102 1
1 328 . 1 1 1 A 29 29 LEU CB C 26 42.513 41.401 1.112 1
1 332 . 1 1 1 A 29 29 LEU N N 26 119.907 120.310 -0.403 1
1 333 . 1 1 1 A 30 30 LYS H H 27 9.233 8.629 0.604 1
1 334 . 1 1 1 A 30 30 LYS HA H 27 4.076 4.342 -0.266 1
1 343 . 1 1 1 A 30 30 LYS C C 27 178.056 178.711 -0.655 1
1 344 . 1 1 1 A 30 30 LYS CA C 27 60.233 59.793 0.440 1
1 345 . 1 1 1 A 30 30 LYS CB C 27 32.103 32.788 -0.685 1
1 349 . 1 1 1 A 30 30 LYS N N 27 120.508 120.548 -0.040 1
1 350 . 1 1 1 A 31 31 LYS H H 28 7.698 7.762 -0.064 1
1 351 . 1 1 1 A 31 31 LYS HA H 28 4.056 4.121 -0.065 1
1 360 . 1 1 1 A 31 31 LYS C C 28 179.539 179.229 0.310 1
1 361 . 1 1 1 A 31 31 LYS CA C 28 59.596 59.874 -0.278 1
1 362 . 1 1 1 A 31 31 LYS CB C 28 32.400 32.314 0.086 1
1 366 . 1 1 1 A 31 31 LYS N N 28 117.412 118.181 -0.769 1
1 367 . 1 1 1 A 32 32 LYS H H 29 7.347 7.864 -0.517 1
1 368 . 1 1 1 A 32 32 LYS HA H 29 4.230 4.056 0.174 1
1 377 . 1 1 1 A 32 32 LYS C C 29 179.057 179.412 -0.355 1
1 378 . 1 1 1 A 32 32 LYS CA C 29 57.553 59.421 -1.868 1
1 379 . 1 1 1 A 32 32 LYS CB C 29 32.103 32.297 -0.194 1
1 383 . 1 1 1 A 32 32 LYS N N 29 116.983 120.138 -3.155 1
1 384 . 1 1 1 A 33 33 LEU H H 30 8.663 8.202 0.461 1
1 385 . 1 1 1 A 33 33 LEU HA H 30 3.844 3.899 -0.055 1
1 395 . 1 1 1 A 33 33 LEU C C 30 177.765 178.708 -0.943 1
1 396 . 1 1 1 A 33 33 LEU CA C 30 57.420 57.988 -0.568 1
1 397 . 1 1 1 A 33 33 LEU CB C 30 42.513 41.812 0.701 1
1 401 . 1 1 1 A 33 33 LEU N N 30 121.134 120.607 0.527 1
1 402 . 1 1 1 A 34 34 VAL H H 31 8.185 8.311 -0.126 1
1 403 . 1 1 1 A 34 34 VAL HA H 31 3.548 3.503 0.045 1
1 411 . 1 1 1 A 34 34 VAL C C 31 178.639 177.957 0.682 1
1 412 . 1 1 1 A 34 34 VAL CA C 31 66.702 66.904 -0.202 1
1 413 . 1 1 1 A 34 34 VAL CB C 31 31.544 31.112 0.432 1
1 416 . 1 1 1 A 34 34 VAL N N 31 117.076 118.994 -1.918 1
1 417 . 1 1 1 A 35 35 GLU H H 32 7.143 8.417 -1.274 1
1 418 . 1 1 1 A 35 35 GLU HA H 32 4.093 4.061 0.032 1
1 423 . 1 1 1 A 35 35 GLU C C 32 179.450 178.768 0.682 1
1 424 . 1 1 1 A 35 35 GLU CA C 32 58.264 59.146 -0.882 1
1 425 . 1 1 1 A 35 35 GLU CB C 32 29.575 29.135 0.440 1
1 427 . 1 1 1 A 35 35 GLU N N 32 117.290 119.451 -2.161 1
1 428 . 1 1 1 A 36 36 VAL H H 33 7.659 8.455 -0.796 1
1 429 . 1 1 1 A 36 36 VAL HA H 33 3.774 3.831 -0.057 1
1 437 . 1 1 1 A 36 36 VAL C C 33 176.929 177.639 -0.710 1
1 438 . 1 1 1 A 36 36 VAL CA C 33 63.889 65.016 -1.127 1
1 439 . 1 1 1 A 36 36 VAL CB C 33 31.825 31.179 0.646 1
1 442 . 1 1 1 A 36 36 VAL N N 33 118.056 119.810 -1.754 1
1 443 . 1 1 1 A 37 37 LEU H H 34 7.679 7.842 -0.163 1
1 444 . 1 1 1 A 37 37 LEU HA H 34 3.619 3.893 -0.274 1
1 454 . 1 1 1 A 37 37 LEU C C 34 177.968 179.610 -1.642 1
1 455 . 1 1 1 A 37 37 LEU CA C 34 57.420 57.181 0.239 1
1 456 . 1 1 1 A 37 37 LEU CB C 34 40.263 41.335 -1.072 1
1 460 . 1 1 1 A 37 37 LEU N N 34 116.847 121.326 -4.479 1
1 461 . 1 1 1 A 38 38 GLU H H 35 7.238 8.706 -1.468 1
1 462 . 1 1 1 A 38 38 GLU HA H 35 4.295 4.205 0.090 1
1 467 . 1 1 1 A 38 38 GLU C C 35 177.853 176.646 1.207 1
1 468 . 1 1 1 A 38 38 GLU CA C 35 57.900 58.360 -0.460 1
1 469 . 1 1 1 A 38 38 GLU CB C 35 30.138 28.704 1.434 1
1 471 . 1 1 1 A 38 38 GLU N N 35 113.881 117.391 -3.510 1
1 472 . 1 1 1 A 39 39 SER H H 36 7.101 7.864 -0.763 1
1 473 . 1 1 1 A 39 39 SER HA H 36 4.518 4.763 -0.245 1
1 476 . 1 1 1 A 39 39 SER CA C 36 55.553 56.196 -0.643 1
1 477 . 1 1 1 A 39 39 SER CB C 36 61.920 63.514 -1.594 1
1 478 . 1 1 1 A 39 39 SER N N 36 109.128 115.730 -6.602 1
1 479 . 1 1 1 A 40 40 PRO HA H 37 4.363 4.233 0.130 1
1 486 . 1 1 1 A 40 40 PRO C C 37 177.879 177.339 0.540 1
1 487 . 1 1 1 A 40 40 PRO CA C 37 64.705 64.360 0.345 1
1 488 . 1 1 1 A 40 40 PRO CB C 37 32.669 31.544 1.125 1
1 491 . 1 1 1 A 41 41 ARG H H 38 8.299 8.362 -0.063 1
1 492 . 1 1 1 A 41 41 ARG HA H 38 3.183 4.033 -0.850 1
1 499 . 1 1 1 A 41 41 ARG C C 38 174.217 175.681 -1.464 1
1 500 . 1 1 1 A 41 41 ARG CA C 38 56.014 55.917 0.097 1
1 501 . 1 1 1 A 41 41 ARG CB C 38 29.571 29.691 -0.120 1
1 504 . 1 1 1 A 41 41 ARG N N 38 121.121 115.243 5.878 1
1 505 . 1 1 1 A 42 42 ILE H H 39 5.995 7.575 -1.580 1
1 506 . 1 1 1 A 42 42 ILE HA H 39 4.177 4.292 -0.115 1
1 516 . 1 1 1 A 42 42 ILE C C 39 176.295 177.321 -1.026 1
1 517 . 1 1 1 A 42 42 ILE CA C 39 59.389 61.082 -1.693 1
1 518 . 1 1 1 A 42 42 ILE CB C 39 39.138 37.594 1.544 1
1 522 . 1 1 1 A 42 42 ILE N N 39 128.247 122.110 6.137 1
1 523 . 1 1 1 A 43 43 GLU H H 40 8.893 8.919 -0.026 1
1 524 . 1 1 1 A 43 43 GLU HA H 40 4.174 4.128 0.046 1
1 529 . 1 1 1 A 43 43 GLU C C 40 178.918 178.386 0.532 1
1 530 . 1 1 1 A 43 43 GLU CA C 40 60.336 59.082 1.254 1
1 531 . 1 1 1 A 43 43 GLU CB C 40 29.100 29.122 -0.022 1
1 533 . 1 1 1 A 43 43 GLU N N 40 130.055 127.616 2.439 1
1 534 . 1 1 1 A 44 44 ALA H H 41 8.851 7.779 1.072 1
1 535 . 1 1 1 A 44 44 ALA HA H 41 4.222 4.166 0.056 1
1 539 . 1 1 1 A 44 44 ALA C C 41 178.069 178.100 -0.031 1
1 540 . 1 1 1 A 44 44 ALA CA C 41 54.148 53.871 0.277 1
1 541 . 1 1 1 A 44 44 ALA CB C 41 18.606 18.319 0.287 1
1 542 . 1 1 1 A 44 44 ALA N N 41 119.773 121.897 -2.124 1
1 543 . 1 1 1 A 45 45 ASN H H 42 8.176 8.040 0.136 1
1 544 . 1 1 1 A 45 45 ASN HA H 42 5.046 4.796 0.250 1
1 549 . 1 1 1 A 45 45 ASN C C 42 174.521 175.327 -0.806 1
1 550 . 1 1 1 A 45 45 ASN CA C 42 51.495 53.494 -1.999 1
1 551 . 1 1 1 A 45 45 ASN CB C 42 38.853 39.545 -0.692 1
1 552 . 1 1 1 A 45 45 ASN N N 42 114.425 114.893 -0.468 1
1 554 . 1 1 1 A 46 46 LYS H H 43 7.524 7.338 0.186 1
1 555 . 1 1 1 A 46 46 LYS HA H 43 3.769 3.432 0.337 1
1 564 . 1 1 1 A 46 46 LYS C C 43 176.143 175.982 0.161 1
1 565 . 1 1 1 A 46 46 LYS CA C 43 56.858 56.112 0.746 1
1 566 . 1 1 1 A 46 46 LYS CB C 43 33.232 32.726 0.506 1
1 570 . 1 1 1 A 46 46 LYS N N 43 122.393 122.381 0.012 1
1 571 . 1 1 1 A 47 47 LEU H H 44 7.982 8.737 -0.755 1
1 572 . 1 1 1 A 47 47 LEU HA H 44 4.374 4.750 -0.376 1
1 582 . 1 1 1 A 47 47 LEU C C 44 176.143 175.404 0.739 1
1 583 . 1 1 1 A 47 47 LEU CA C 44 53.746 53.631 0.115 1
1 584 . 1 1 1 A 47 47 LEU CB C 44 41.951 42.615 -0.664 1
1 588 . 1 1 1 A 47 47 LEU N N 44 127.624 125.422 2.202 1
1 589 . 1 1 1 A 48 48 ARG H H 45 8.549 8.653 -0.104 1
1 590 . 1 1 1 A 48 48 ARG HA H 45 4.346 4.249 0.097 1
1 597 . 1 1 1 A 48 48 ARG CA C 45 55.800 56.927 -1.127 1
1 598 . 1 1 1 A 48 48 ARG CB C 45 31.263 30.802 0.461 1
1 601 . 1 1 1 A 48 48 ARG N N 45 125.873 125.028 0.845 1
1 602 . 1 1 1 A 49 49 GLY H H 46 8.800 8.926 -0.126 1
1 603 . 1 1 1 A 49 49 GLY HA2 H 46 3.760 3.964 -0.204 1
1 604 . 1 1 1 A 49 49 GLY HA3 H 46 4.070 3.965 0.105 1
1 605 . 1 1 1 A 49 49 GLY C C 46 173.482 174.367 -0.885 1
1 606 . 1 1 1 A 49 49 GLY CA C 46 45.326 45.035 0.291 1
1 607 . 1 1 1 A 49 49 GLY N N 46 111.980 114.740 -2.760 1
1 608 . 1 1 1 A 50 50 MET H H 47 7.272 7.799 -0.527 1
1 609 . 1 1 1 A 50 50 MET HA H 47 4.921 4.589 0.332 1
1 617 . 1 1 1 A 50 50 MET CA C 47 52.049 53.876 -1.827 1
1 618 . 1 1 1 A 50 50 MET CB C 47 33.794 33.108 0.686 1
1 621 . 1 1 1 A 50 50 MET N N 47 119.077 120.259 -1.182 1
1 622 . 1 1 1 A 51 51 PRO HA H 48 4.294 4.386 -0.092 1
1 629 . 1 1 1 A 51 51 PRO C C 48 176.460 176.961 -0.501 1
1 630 . 1 1 1 A 51 51 PRO CA C 48 63.879 65.829 -1.950 1
1 631 . 1 1 1 A 51 51 PRO CB C 48 31.825 31.523 0.302 1
1 634 . 1 1 1 A 52 52 ASP H H 49 8.661 8.238 0.423 1
1 635 . 1 1 1 A 52 52 ASP HA H 49 4.487 4.746 -0.259 1
1 638 . 1 1 1 A 52 52 ASP C C 49 174.065 174.674 -0.609 1
1 639 . 1 1 1 A 52 52 ASP CA C 49 56.042 53.202 2.840 1
1 640 . 1 1 1 A 52 52 ASP CB C 49 41.107 41.051 0.056 1
1 641 . 1 1 1 A 52 52 ASP N N 49 116.477 115.890 0.587 1
1 642 . 1 1 1 A 53 53 CYS H H 50 7.575 7.443 0.132 1
1 643 . 1 1 1 A 53 53 CYS HA H 50 5.835 5.654 0.181 1
1 646 . 1 1 1 A 53 53 CYS C C 50 173.444 173.714 -0.270 1
1 647 . 1 1 1 A 53 53 CYS CA C 50 58.110 57.965 0.145 1
1 648 . 1 1 1 A 53 53 CYS CB C 50 30.700 29.917 0.783 1
1 649 . 1 1 1 A 53 53 CYS N N 50 114.414 121.008 -6.594 1
1 650 . 1 1 1 A 54 54 TYR H H 51 8.806 9.203 -0.397 1
1 651 . 1 1 1 A 54 54 TYR HA H 51 4.737 5.148 -0.411 1
1 658 . 1 1 1 A 54 54 TYR C C 51 172.950 174.101 -1.151 1
1 659 . 1 1 1 A 54 54 TYR CA C 51 56.066 56.056 0.010 1
1 660 . 1 1 1 A 54 54 TYR CB C 51 42.794 43.074 -0.280 1
1 661 . 1 1 1 A 54 54 TYR N N 51 120.858 120.606 0.252 1
1 662 . 1 1 1 A 55 55 LYS H H 52 8.425 9.102 -0.677 1
1 663 . 1 1 1 A 55 55 LYS HA H 52 5.687 5.375 0.312 1
1 672 . 1 1 1 A 55 55 LYS C C 52 176.498 174.884 1.614 1
1 673 . 1 1 1 A 55 55 LYS CA C 52 53.291 54.297 -1.006 1
1 674 . 1 1 1 A 55 55 LYS CB C 52 36.325 36.083 0.242 1
1 678 . 1 1 1 A 55 55 LYS N N 52 115.794 118.497 -2.703 1
1 679 . 1 1 1 A 56 56 ILE H H 53 9.187 9.191 -0.004 1
1 680 . 1 1 1 A 56 56 ILE HA H 53 4.416 5.077 -0.661 1
1 690 . 1 1 1 A 56 56 ILE C C 53 174.572 175.578 -1.006 1
1 691 . 1 1 1 A 56 56 ILE CA C 53 60.971 59.842 1.129 1
1 692 . 1 1 1 A 56 56 ILE CB C 53 41.388 41.215 0.173 1
1 696 . 1 1 1 A 56 56 ILE N N 53 120.315 123.507 -3.192 1
1 697 . 1 1 1 A 57 57 LYS H H 54 8.755 9.126 -0.371 1
1 698 . 1 1 1 A 57 57 LYS HA H 54 5.043 5.273 -0.230 1
1 707 . 1 1 1 A 57 57 LYS C C 54 175.193 175.315 -0.122 1
1 708 . 1 1 1 A 57 57 LYS CA C 54 54.359 54.644 -0.285 1
1 709 . 1 1 1 A 57 57 LYS CB C 54 35.482 35.754 -0.272 1
1 713 . 1 1 1 A 57 57 LYS N N 54 125.616 124.979 0.637 1
1 714 . 1 1 1 A 58 58 LEU H H 55 8.449 9.220 -0.771 1
1 715 . 1 1 1 A 58 58 LEU HA H 55 4.796 4.615 0.181 1
1 725 . 1 1 1 A 58 58 LEU CA C 55 53.201 53.993 -0.792 1
1 726 . 1 1 1 A 58 58 LEU CB C 55 41.669 42.977 -1.308 1
1 730 . 1 1 1 A 58 58 LEU N N 55 124.214 123.638 0.576 1
1 731 . 1 1 1 A 59 59 ARG HA H 56 4.008 4.098 -0.090 1
1 738 . 1 1 1 A 59 59 ARG CA C 56 57.420 58.694 -1.274 1
1 739 . 1 1 1 A 59 59 ARG CB C 56 29.575 29.796 -0.221 1
1 742 . 1 1 1 A 60 60 SER HA H 57 4.246 4.247 -0.001 1
1 745 . 1 1 1 A 60 60 SER CA C 57 59.798 61.337 -1.539 1
1 746 . 1 1 1 A 60 60 SER CB C 57 63.045 63.239 -0.194 1
1 747 . 1 1 1 A 61 61 SER HA H 58 4.616 4.592 0.024 1
1 750 . 1 1 1 A 61 61 SER C C 58 175.155 175.346 -0.191 1
1 751 . 1 1 1 A 61 61 SER CA C 58 58.010 58.145 -0.135 1
1 752 . 1 1 1 A 61 61 SER CB C 58 64.452 64.235 0.217 1
1 753 . 1 1 1 A 62 62 GLY H H 59 8.217 8.110 0.107 1
1 754 . 1 1 1 A 62 62 GLY HA2 H 59 3.926 3.910 0.016 1
1 755 . 1 1 1 A 62 62 GLY HA3 H 59 4.010 3.962 0.048 1
1 756 . 1 1 1 A 62 62 GLY C C 59 174.407 174.292 0.115 1
1 757 . 1 1 1 A 62 62 GLY CA C 59 45.888 46.654 -0.766 1
1 758 . 1 1 1 A 62 62 GLY N N 59 109.272 111.345 -2.073 1
1 759 . 1 1 1 A 63 63 TYR H H 60 7.463 7.735 -0.272 1
1 760 . 1 1 1 A 63 63 TYR HA H 60 4.629 4.579 0.050 1
1 767 . 1 1 1 A 63 63 TYR C C 60 175.117 175.086 0.031 1
1 768 . 1 1 1 A 63 63 TYR CA C 60 59.857 57.843 2.014 1
1 769 . 1 1 1 A 63 63 TYR CB C 60 41.388 40.474 0.914 1
1 770 . 1 1 1 A 63 63 TYR N N 60 117.638 118.142 -0.504 1
1 771 . 1 1 1 A 64 64 ARG H H 61 9.261 9.232 0.029 1
1 772 . 1 1 1 A 64 64 ARG HA H 61 5.458 5.594 -0.136 1
1 779 . 1 1 1 A 64 64 ARG C C 61 173.596 174.806 -1.210 1
1 780 . 1 1 1 A 64 64 ARG CA C 61 53.880 54.431 -0.551 1
1 781 . 1 1 1 A 64 64 ARG CB C 61 34.357 33.657 0.700 1
1 784 . 1 1 1 A 64 64 ARG N N 61 119.605 121.173 -1.568 1
1 785 . 1 1 1 A 65 65 LEU H H 62 9.085 9.290 -0.205 1
1 786 . 1 1 1 A 65 65 LEU HA H 62 5.432 5.318 0.114 1
1 796 . 1 1 1 A 65 65 LEU C C 62 174.534 174.489 0.045 1
1 797 . 1 1 1 A 65 65 LEU CA C 62 53.795 53.863 -0.068 1
1 798 . 1 1 1 A 65 65 LEU CB C 62 46.732 46.327 0.405 1
1 802 . 1 1 1 A 65 65 LEU N N 62 125.189 124.527 0.662 1
1 803 . 1 1 1 A 66 66 VAL H H 63 9.058 9.082 -0.024 1
1 804 . 1 1 1 A 66 66 VAL HA H 63 4.991 5.195 -0.204 1
1 812 . 1 1 1 A 66 66 VAL C C 63 174.699 174.996 -0.297 1
1 813 . 1 1 1 A 66 66 VAL CA C 63 60.795 60.815 -0.020 1
1 814 . 1 1 1 A 66 66 VAL CB C 63 34.075 33.469 0.606 1
1 817 . 1 1 1 A 66 66 VAL N N 63 125.140 125.932 -0.792 1
1 818 . 1 1 1 A 67 67 TYR H H 64 9.091 8.805 0.286 1
1 819 . 1 1 1 A 67 67 TYR HA H 64 5.659 5.576 0.083 1
1 826 . 1 1 1 A 67 67 TYR C C 64 170.910 173.020 -2.110 1
1 827 . 1 1 1 A 67 67 TYR CA C 64 54.286 55.070 -0.784 1
1 828 . 1 1 1 A 67 67 TYR CB C 64 41.951 41.858 0.093 1
1 829 . 1 1 1 A 67 67 TYR N N 64 124.150 124.101 0.049 1
1 830 . 1 1 1 A 68 68 GLN H H 65 9.814 9.415 0.399 1
1 831 . 1 1 1 A 68 68 GLN HA H 65 5.510 5.514 -0.004 1
1 838 . 1 1 1 A 68 68 GLN C C 65 175.725 174.722 1.003 1
1 839 . 1 1 1 A 68 68 GLN CA C 65 53.092 54.513 -1.421 1
1 840 . 1 1 1 A 68 68 GLN CB C 65 32.600 31.662 0.938 1
1 842 . 1 1 1 A 68 68 GLN N N 65 123.050 119.133 3.917 1
1 844 . 1 1 1 A 69 69 VAL H H 66 9.198 9.510 -0.312 1
1 845 . 1 1 1 A 69 69 VAL HA H 66 4.369 4.481 -0.112 1
1 853 . 1 1 1 A 69 69 VAL C C 66 175.357 174.992 0.365 1
1 854 . 1 1 1 A 69 69 VAL CA C 66 63.045 62.235 0.810 1
1 855 . 1 1 1 A 69 69 VAL CB C 66 32.669 32.114 0.555 1
1 858 . 1 1 1 A 69 69 VAL N N 66 127.343 124.033 3.310 1
1 859 . 1 1 1 A 70 70 ILE H H 67 9.241 9.253 -0.012 1
1 860 . 1 1 1 A 70 70 ILE HA H 67 4.471 4.405 0.066 1
1 870 . 1 1 1 A 70 70 ILE C C 67 177.081 176.208 0.873 1
1 871 . 1 1 1 A 70 70 ILE CA C 67 59.716 61.042 -1.326 1
1 872 . 1 1 1 A 70 70 ILE CB C 67 37.169 37.041 0.128 1
1 876 . 1 1 1 A 70 70 ILE N N 67 129.254 127.800 1.454 1
1 877 . 1 1 1 A 71 71 ASP H H 68 9.374 8.697 0.677 1
1 878 . 1 1 1 A 71 71 ASP HA H 68 4.574 4.380 0.194 1
1 881 . 1 1 1 A 71 71 ASP C C 68 179.868 177.876 1.992 1
1 882 . 1 1 1 A 71 71 ASP CA C 68 58.797 57.655 1.142 1
1 883 . 1 1 1 A 71 71 ASP CB C 68 40.544 40.527 0.017 1
1 884 . 1 1 1 A 71 71 ASP N N 68 129.133 128.944 0.189 1
1 885 . 1 1 1 A 72 72 GLU H H 69 9.631 8.267 1.364 1
1 886 . 1 1 1 A 72 72 GLU HA H 69 4.088 4.113 -0.025 1
1 891 . 1 1 1 A 72 72 GLU C C 69 176.865 177.862 -0.997 1
1 892 . 1 1 1 A 72 72 GLU CA C 69 59.670 59.250 0.420 1
1 893 . 1 1 1 A 72 72 GLU CB C 69 29.100 29.738 -0.638 1
1 895 . 1 1 1 A 72 72 GLU N N 69 118.880 118.668 0.212 1
1 896 . 1 1 1 A 73 73 LYS H H 70 6.582 7.771 -1.189 1
1 897 . 1 1 1 A 73 73 LYS HA H 70 4.474 4.440 0.034 1
1 906 . 1 1 1 A 73 73 LYS C C 70 173.964 175.610 -1.646 1
1 907 . 1 1 1 A 73 73 LYS CA C 70 54.604 55.697 -1.093 1
1 908 . 1 1 1 A 73 73 LYS CB C 70 34.075 33.506 0.569 1
1 912 . 1 1 1 A 73 73 LYS N N 70 114.014 116.995 -2.981 1
1 913 . 1 1 1 A 74 74 VAL H H 71 7.791 7.814 -0.023 1
1 914 . 1 1 1 A 74 74 VAL HA H 71 2.948 3.779 -0.831 1
1 922 . 1 1 1 A 74 74 VAL C C 71 173.381 174.244 -0.863 1
1 923 . 1 1 1 A 74 74 VAL CA C 71 63.045 63.789 -0.744 1
1 924 . 1 1 1 A 74 74 VAL CB C 71 29.013 29.755 -0.742 1
1 927 . 1 1 1 A 74 74 VAL N N 71 119.301 116.614 2.687 1
1 928 . 1 1 1 A 75 75 VAL H H 72 7.736 7.802 -0.066 1
1 929 . 1 1 1 A 75 75 VAL HA H 72 5.159 4.999 0.160 1
1 937 . 1 1 1 A 75 75 VAL C C 72 175.028 173.657 1.371 1
1 938 . 1 1 1 A 75 75 VAL CA C 72 59.839 60.306 -0.467 1
1 939 . 1 1 1 A 75 75 VAL CB C 72 37.732 35.874 1.858 1
1 942 . 1 1 1 A 75 75 VAL N N 72 116.865 119.982 -3.117 1
1 943 . 1 1 1 A 76 76 VAL H H 73 9.006 9.222 -0.216 1
1 944 . 1 1 1 A 76 76 VAL HA H 73 4.190 4.693 -0.503 1
1 952 . 1 1 1 A 76 76 VAL C C 73 172.177 174.663 -2.486 1
1 953 . 1 1 1 A 76 76 VAL CA C 73 62.473 61.207 1.266 1
1 954 . 1 1 1 A 76 76 VAL CB C 73 32.388 32.179 0.209 1
1 957 . 1 1 1 A 76 76 VAL N N 73 128.675 128.185 0.490 1
1 958 . 1 1 1 A 77 77 PHE H H 74 9.468 9.410 0.058 1
1 959 . 1 1 1 A 77 77 PHE HA H 74 5.019 5.337 -0.318 1
1 966 . 1 1 1 A 77 77 PHE C C 74 174.420 173.981 0.439 1
1 967 . 1 1 1 A 77 77 PHE CA C 74 54.378 55.650 -1.272 1
1 968 . 1 1 1 A 77 77 PHE CB C 74 42.230 41.153 1.077 1
1 969 . 1 1 1 A 77 77 PHE N N 74 130.014 128.307 1.707 1
1 970 . 1 1 1 A 78 78 VAL H H 75 8.990 8.811 0.179 1
1 971 . 1 1 1 A 78 78 VAL HA H 75 3.645 3.922 -0.277 1
1 979 . 1 1 1 A 78 78 VAL C C 75 174.813 175.249 -0.436 1
1 980 . 1 1 1 A 78 78 VAL CA C 75 64.452 63.130 1.322 1
1 981 . 1 1 1 A 78 78 VAL CB C 75 31.009 31.034 -0.025 1
1 984 . 1 1 1 A 78 78 VAL N N 75 128.474 126.633 1.841 1
1 985 . 1 1 1 A 79 79 ILE H H 76 8.679 8.888 -0.209 1
1 986 . 1 1 1 A 79 79 ILE HA H 76 4.171 4.054 0.117 1
1 996 . 1 1 1 A 79 79 ILE C C 76 176.092 175.849 0.243 1
1 997 . 1 1 1 A 79 79 ILE CA C 76 61.635 62.457 -0.822 1
1 998 . 1 1 1 A 79 79 ILE CB C 76 39.982 38.302 1.680 1
1 1002 . 1 1 1 A 79 79 ILE N N 76 122.334 128.965 -6.631 1
1 1003 . 1 1 1 A 80 80 SER H H 77 7.614 7.791 -0.177 1
1 1004 . 1 1 1 A 80 80 SER HA H 77 4.724 5.032 -0.308 1
1 1007 . 1 1 1 A 80 80 SER C C 77 172.545 172.126 0.419 1
1 1008 . 1 1 1 A 80 80 SER CA C 77 57.849 57.692 0.157 1
1 1009 . 1 1 1 A 80 80 SER CB C 77 64.733 67.032 -2.299 1
1 1010 . 1 1 1 A 80 80 SER N N 77 113.369 114.420 -1.051 1
1 1011 . 1 1 1 A 81 81 VAL H H 78 8.814 8.732 0.082 1
1 1012 . 1 1 1 A 81 81 VAL HA H 78 5.102 5.092 0.010 1
1 1020 . 1 1 1 A 81 81 VAL C C 78 173.761 174.641 -0.880 1
1 1021 . 1 1 1 A 81 81 VAL CA C 78 61.004 59.787 1.217 1
1 1022 . 1 1 1 A 81 81 VAL CB C 78 34.638 35.731 -1.093 1
1 1025 . 1 1 1 A 81 81 VAL N N 78 123.792 121.381 2.411 1
1 1026 . 1 1 1 A 82 82 GLY H H 79 8.628 8.774 -0.146 1
1 1027 . 1 1 1 A 82 82 GLY HA2 H 79 4.365 4.349 0.016 1
1 1028 . 1 1 1 A 82 82 GLY HA3 H 79 4.214 4.481 -0.267 1
1 1029 . 1 1 1 A 82 82 GLY C C 79 171.201 172.078 -0.877 1
1 1030 . 1 1 1 A 82 82 GLY CA C 79 45.606 45.819 -0.213 1
1 1031 . 1 1 1 A 82 82 GLY N N 79 111.112 113.504 -2.392 1
1 1032 . 1 1 1 A 83 83 LYS H H 80 8.670 8.291 0.379 1
1 1033 . 1 1 1 A 83 83 LYS HA H 80 4.205 5.109 -0.904 1
1 1042 . 1 1 1 A 83 83 LYS C C 80 176.080 175.238 0.842 1
1 1043 . 1 1 1 A 83 83 LYS CA C 80 55.451 54.222 1.229 1
1 1044 . 1 1 1 A 83 83 LYS CB C 80 32.665 36.424 -3.759 1
1 1048 . 1 1 1 A 83 83 LYS N N 80 120.943 123.154 -2.211 1
1 1049 . 1 1 1 A 84 84 ALA H H 81 8.049 8.435 -0.386 1
1 1050 . 1 1 1 A 84 84 ALA HA H 81 4.182 4.817 -0.635 1
1 1054 . 1 1 1 A 84 84 ALA C C 81 176.941 178.277 -1.336 1
1 1055 . 1 1 1 A 84 84 ALA CA C 81 52.248 50.952 1.296 1
1 1056 . 1 1 1 A 84 84 ALA CB C 81 19.450 19.868 -0.418 1
1 1057 . 1 1 1 A 84 84 ALA N N 81 125.262 123.764 1.498 1
1 1058 . 1 1 1 A 85 85 GLU H H 82 8.460 8.272 0.188 1
1 1059 . 1 1 1 A 85 85 GLU HA H 82 4.230 4.185 0.045 1
1 1064 . 1 1 1 A 85 85 GLU C C 82 176.599 177.223 -0.624 1
1 1065 . 1 1 1 A 85 85 GLU CA C 82 56.446 58.158 -1.712 1
1 1066 . 1 1 1 A 85 85 GLU CB C 82 29.853 28.167 1.686 1
1 1068 . 1 1 1 A 85 85 GLU N N 82 119.296 118.233 1.063 1
1 1069 . 1 1 1 A 86 86 ALA H H 83 8.403 7.758 0.645 1
1 1070 . 1 1 1 A 86 86 ALA HA H 83 4.149 4.385 -0.236 1
1 1074 . 1 1 1 A 86 86 ALA C C 83 177.777 176.973 0.804 1
1 1075 . 1 1 1 A 86 86 ALA CA C 83 53.448 51.657 1.791 1
1 1076 . 1 1 1 A 86 86 ALA CB C 83 18.887 19.089 -0.202 1
1 1077 . 1 1 1 A 86 86 ALA N N 83 124.833 122.253 2.580 1
1 1078 . 1 1 1 A 87 87 SER H H 84 8.301 8.307 -0.006 1
1 1079 . 1 1 1 A 87 87 SER HA H 84 4.297 4.563 -0.266 1
1 1082 . 1 1 1 A 87 87 SER C C 84 175.370 174.289 1.081 1
1 1083 . 1 1 1 A 87 87 SER N N 84 113.395 110.795 2.600 1
1 1084 . 1 1 1 A 88 88 GLU H H 85 8.271 8.165 0.106 1
1 1085 . 1 1 1 A 88 88 GLU HA H 85 4.239 4.159 0.080 1
1 1090 . 1 1 1 A 88 88 GLU C C 85 177.081 179.019 -1.938 1
1 1091 . 1 1 1 A 88 88 GLU CA C 85 57.140 59.205 -2.065 1
1 1092 . 1 1 1 A 88 88 GLU CB C 85 29.856 29.539 0.317 1
1 1094 . 1 1 1 A 88 88 GLU N N 85 122.554 120.528 2.026 1
1 1095 . 1 1 1 A 89 89 VAL H H 86 7.833 7.711 0.122 1
1 1096 . 1 1 1 A 89 89 VAL HA H 86 3.895 3.909 -0.014 1
1 1104 . 1 1 1 A 89 89 VAL C C 86 177.172 176.989 0.183 1
1 1105 . 1 1 1 A 89 89 VAL CA C 86 63.045 65.348 -2.303 1
1 1106 . 1 1 1 A 89 89 VAL CB C 86 32.107 31.015 1.092 1
1 1109 . 1 1 1 A 89 89 VAL N N 86 119.916 117.243 2.673 1
1 1110 . 1 1 1 A 90 90 TYR H H 87 8.142 7.742 0.400 1
1 1111 . 1 1 1 A 90 90 TYR HA H 87 4.479 4.339 0.140 1
1 1118 . 1 1 1 A 90 90 TYR C C 87 176.637 178.133 -1.496 1
1 1119 . 1 1 1 A 90 90 TYR CA C 87 58.545 61.297 -2.752 1
1 1120 . 1 1 1 A 90 90 TYR CB C 87 37.732 38.067 -0.335 1
1 1121 . 1 1 1 A 90 90 TYR N N 87 122.303 121.399 0.904 1
1 1122 . 1 1 1 A 91 91 SER H H 88 8.090 7.873 0.217 1
1 1123 . 1 1 1 A 91 91 SER HA H 88 4.335 4.249 0.086 1
1 1126 . 1 1 1 A 91 91 SER C C 88 176.130 176.641 -0.511 1
1 1127 . 1 1 1 A 91 91 SER CA C 88 59.899 61.977 -2.078 1
1 1128 . 1 1 1 A 91 91 SER CB C 88 62.483 62.990 -0.507 1
1 1129 . 1 1 1 A 91 91 SER N N 88 115.828 117.437 -1.609 1
1 1130 . 1 1 1 A 92 92 GLU H H 89 8.234 7.773 0.461 1
1 1131 . 1 1 1 A 92 92 GLU HA H 89 4.213 4.037 0.176 1
1 1136 . 1 1 1 A 92 92 GLU C C 89 177.600 178.826 -1.226 1
1 1137 . 1 1 1 A 92 92 GLU CA C 89 57.701 58.963 -1.262 1
1 1138 . 1 1 1 A 92 92 GLU CB C 89 29.575 29.947 -0.372 1
1 1140 . 1 1 1 A 92 92 GLU N N 89 121.225 121.817 -0.592 1
1 1141 . 1 1 1 A 93 93 ALA H H 90 7.960 7.912 0.048 1
1 1142 . 1 1 1 A 93 93 ALA HA H 90 4.025 4.098 -0.073 1
1 1146 . 1 1 1 A 93 93 ALA C C 90 178.550 180.133 -1.583 1
1 1147 . 1 1 1 A 93 93 ALA CA C 90 54.225 55.106 -0.881 1
1 1148 . 1 1 1 A 93 93 ALA CB C 90 18.325 18.653 -0.328 1
1 1149 . 1 1 1 A 93 93 ALA N N 90 122.055 122.309 -0.254 1
1 1150 . 1 1 1 A 94 94 VAL H H 91 7.799 8.501 -0.702 1
1 1151 . 1 1 1 A 94 94 VAL HA H 91 3.818 3.835 -0.017 1
1 1159 . 1 1 1 A 94 94 VAL CA C 91 64.167 65.179 -1.012 1
1 1160 . 1 1 1 A 94 94 VAL CB C 91 31.825 31.259 0.566 1
1 1163 . 1 1 1 A 94 94 VAL N N 91 115.727 116.961 -1.234 1
1 1164 . 1 1 1 A 95 95 LYS H H 92 7.764 7.626 0.138 1
1 1165 . 1 1 1 A 95 95 LYS HA H 92 4.197 4.154 0.043 1
1 1174 . 1 1 1 A 95 95 LYS C C 92 177.600 179.422 -1.822 1
1 1175 . 1 1 1 A 95 95 LYS CA C 92 57.139 59.445 -2.306 1
1 1176 . 1 1 1 A 95 95 LYS CB C 92 32.600 32.333 0.267 1
1 1180 . 1 1 1 A 95 95 LYS N N 92 120.823 122.385 -1.562 1
1 1181 . 1 1 1 A 96 96 ARG H H 93 7.970 7.804 0.166 1
1 1182 . 1 1 1 A 96 96 ARG HA H 93 4.341 4.166 0.175 1
1 1189 . 1 1 1 A 96 96 ARG C C 93 179.703 176.824 2.879 1
1 1190 . 1 1 1 A 96 96 ARG CA C 93 56.295 58.721 -2.426 1
1 1191 . 1 1 1 A 96 96 ARG CB C 93 31.400 29.771 1.629 1
1 1194 . 1 1 1 A 96 96 ARG N N 93 119.070 119.200 -0.130 1
1 1195 . 1 1 1 A 97 97 ILE H H 94 8.012 7.264 0.748 1
1 1196 . 1 1 1 A 97 97 ILE HA H 94 4.216 4.251 -0.035 1
1 1206 . 1 1 1 A 97 97 ILE C C 94 175.509 175.363 0.146 1
1 1207 . 1 1 1 A 97 97 ILE CA C 94 61.362 61.225 0.137 1
1 1208 . 1 1 1 A 97 97 ILE CB C 94 38.576 35.930 2.646 1
1 1212 . 1 1 1 A 97 97 ILE N N 94 120.512 119.490 1.022 1
1 16 . 2 1 1 A 5 5 ALA H H 2 8.084 8.760 -0.676 1
1 17 . 2 1 1 A 5 5 ALA HA H 2 4.423 5.532 -1.109 1
1 21 . 2 1 1 A 5 5 ALA C C 2 176.536 175.437 1.099 1
1 22 . 2 1 1 A 5 5 ALA CA C 2 51.634 50.477 1.157 1
1 23 . 2 1 1 A 5 5 ALA CB C 2 19.439 23.822 -4.383 1
1 24 . 2 1 1 A 5 5 ALA N N 2 125.284 126.744 -1.460 1
1 25 . 2 1 1 A 6 6 TYR H H 3 8.406 8.601 -0.195 1
1 26 . 2 1 1 A 6 6 TYR HA H 3 4.312 4.902 -0.590 1
1 33 . 2 1 1 A 6 6 TYR C C 3 175.433 175.159 0.274 1
1 34 . 2 1 1 A 6 6 TYR CA C 3 57.701 56.168 1.533 1
1 35 . 2 1 1 A 6 6 TYR CB C 3 39.701 42.670 -2.969 1
1 36 . 2 1 1 A 6 6 TYR N N 3 120.887 116.951 3.936 1
1 37 . 2 1 1 A 7 7 PHE H H 4 8.703 9.396 -0.693 1
1 38 . 2 1 1 A 7 7 PHE HA H 4 4.645 4.869 -0.224 1
1 45 . 2 1 1 A 7 7 PHE C C 4 173.812 174.841 -1.029 1
1 46 . 2 1 1 A 7 7 PHE CA C 4 56.853 57.665 -0.812 1
1 47 . 2 1 1 A 7 7 PHE CB C 4 40.541 40.725 -0.184 1
1 48 . 2 1 1 A 7 7 PHE N N 4 119.295 119.757 -0.462 1
1 49 . 2 1 1 A 8 8 LEU H H 5 8.255 8.710 -0.455 1
1 50 . 2 1 1 A 8 8 LEU HA H 5 4.985 5.250 -0.265 1
1 60 . 2 1 1 A 8 8 LEU C C 5 174.927 174.399 0.528 1
1 61 . 2 1 1 A 8 8 LEU CA C 5 53.544 53.457 0.087 1
1 62 . 2 1 1 A 8 8 LEU CB C 5 44.201 45.940 -1.739 1
1 66 . 2 1 1 A 8 8 LEU N N 5 124.516 122.726 1.790 1
1 67 . 2 1 1 A 9 9 ASP H H 6 9.047 8.559 0.488 1
1 68 . 2 1 1 A 9 9 ASP HA H 6 5.089 5.064 0.025 1
1 71 . 2 1 1 A 9 9 ASP C C 6 173.216 173.520 -0.304 1
1 72 . 2 1 1 A 9 9 ASP CA C 6 52.278 52.812 -0.534 1
1 73 . 2 1 1 A 9 9 ASP CB C 6 45.326 45.256 0.070 1
1 74 . 2 1 1 A 9 9 ASP N N 6 126.171 123.974 2.197 1
1 75 . 2 1 1 A 10 10 PHE H H 7 8.891 8.428 0.463 1
1 76 . 2 1 1 A 10 10 PHE HA H 7 4.545 4.497 0.048 1
1 83 . 2 1 1 A 10 10 PHE C C 7 175.218 174.056 1.162 1
1 84 . 2 1 1 A 10 10 PHE CA C 7 56.243 56.195 0.048 1
1 85 . 2 1 1 A 10 10 PHE CB C 7 43.638 42.305 1.333 1
1 86 . 2 1 1 A 10 10 PHE N N 7 119.178 119.048 0.130 1
1 87 . 2 1 1 A 11 11 ASP H H 8 8.124 8.486 -0.362 1
1 88 . 2 1 1 A 11 11 ASP HA H 8 4.551 4.761 -0.210 1
1 91 . 2 1 1 A 11 11 ASP C C 8 177.157 177.332 -0.175 1
1 92 . 2 1 1 A 11 11 ASP CA C 8 54.315 54.208 0.107 1
1 93 . 2 1 1 A 11 11 ASP CB C 8 44.201 42.625 1.576 1
1 94 . 2 1 1 A 11 11 ASP N N 8 123.305 123.879 -0.574 1
1 95 . 2 1 1 A 12 12 GLU H H 9 9.197 9.029 0.168 1
1 96 . 2 1 1 A 12 12 GLU HA H 9 4.016 4.100 -0.084 1
1 101 . 2 1 1 A 12 12 GLU C C 9 178.880 178.784 0.096 1
1 102 . 2 1 1 A 12 12 GLU CA C 9 60.365 59.179 1.186 1
1 103 . 2 1 1 A 12 12 GLU CB C 9 29.670 29.182 0.488 1
1 105 . 2 1 1 A 12 12 GLU N N 9 127.082 123.119 3.963 1
1 106 . 2 1 1 A 13 13 ARG H H 10 8.949 8.289 0.660 1
1 107 . 2 1 1 A 13 13 ARG HA H 10 4.097 4.039 0.058 1
1 114 . 2 1 1 A 13 13 ARG C C 10 179.273 178.915 0.358 1
1 115 . 2 1 1 A 13 13 ARG CA C 10 58.924 59.119 -0.195 1
1 116 . 2 1 1 A 13 13 ARG CB C 10 30.138 30.220 -0.082 1
1 119 . 2 1 1 A 13 13 ARG N N 10 119.265 119.582 -0.317 1
1 120 . 2 1 1 A 14 14 ALA H H 11 7.451 7.947 -0.496 1
1 121 . 2 1 1 A 14 14 ALA HA H 11 4.685 4.165 0.520 1
1 125 . 2 1 1 A 14 14 ALA C C 11 179.564 180.243 -0.679 1
1 126 . 2 1 1 A 14 14 ALA CA C 11 53.705 55.062 -1.357 1
1 127 . 2 1 1 A 14 14 ALA CB C 11 18.325 18.396 -0.071 1
1 128 . 2 1 1 A 14 14 ALA N N 11 122.421 122.027 0.394 1
1 129 . 2 1 1 A 15 15 LEU H H 12 8.683 8.149 0.534 1
1 130 . 2 1 1 A 15 15 LEU HA H 12 3.877 3.818 0.059 1
1 140 . 2 1 1 A 15 15 LEU C C 12 178.550 179.517 -0.967 1
1 141 . 2 1 1 A 15 15 LEU CA C 12 57.139 57.647 -0.508 1
1 142 . 2 1 1 A 15 15 LEU CB C 12 41.103 40.860 0.243 1
1 146 . 2 1 1 A 15 15 LEU N N 12 120.118 119.173 0.945 1
1 147 . 2 1 1 A 16 16 LYS H H 13 7.345 8.137 -0.792 1
1 148 . 2 1 1 A 16 16 LYS HA H 13 3.995 3.885 0.110 1
1 157 . 2 1 1 A 16 16 LYS C C 13 179.678 179.819 -0.141 1
1 158 . 2 1 1 A 16 16 LYS CA C 13 59.700 60.459 -0.759 1
1 159 . 2 1 1 A 16 16 LYS CB C 13 32.388 32.111 0.277 1
1 163 . 2 1 1 A 16 16 LYS N N 13 117.725 118.026 -0.301 1
1 164 . 2 1 1 A 17 17 GLU H H 14 7.453 7.747 -0.294 1
1 165 . 2 1 1 A 17 17 GLU HA H 14 4.016 4.096 -0.080 1
1 170 . 2 1 1 A 17 17 GLU C C 14 179.589 179.023 0.566 1
1 171 . 2 1 1 A 17 17 GLU CA C 14 58.841 59.199 -0.358 1
1 172 . 2 1 1 A 17 17 GLU CB C 14 29.298 29.305 -0.007 1
1 174 . 2 1 1 A 17 17 GLU N N 14 118.019 119.642 -1.623 1
1 175 . 2 1 1 A 18 18 TRP H H 15 9.081 8.663 0.418 1
1 176 . 2 1 1 A 18 18 TRP HA H 15 4.174 4.216 -0.042 1
1 183 . 2 1 1 A 18 18 TRP C C 15 178.360 178.163 0.197 1
1 184 . 2 1 1 A 18 18 TRP CA C 15 59.938 61.038 -1.100 1
1 185 . 2 1 1 A 18 18 TRP CB C 15 30.241 29.557 0.684 1
1 186 . 2 1 1 A 18 18 TRP N N 15 122.628 122.038 0.590 1
1 188 . 2 1 1 A 19 19 ARG H H 16 8.197 8.206 -0.009 1
1 189 . 2 1 1 A 19 19 ARG HA H 16 3.863 4.169 -0.306 1
1 196 . 2 1 1 A 19 19 ARG C C 16 177.030 179.033 -2.003 1
1 197 . 2 1 1 A 19 19 ARG CA C 16 58.516 58.642 -0.126 1
1 198 . 2 1 1 A 19 19 ARG CB C 16 30.300 30.155 0.145 1
1 201 . 2 1 1 A 19 19 ARG N N 16 115.582 118.542 -2.960 1
1 202 . 2 1 1 A 20 20 LYS H H 17 7.308 7.576 -0.268 1
1 203 . 2 1 1 A 20 20 LYS HA H 17 4.238 4.127 0.111 1
1 212 . 2 1 1 A 20 20 LYS C C 17 177.043 177.144 -0.101 1
1 213 . 2 1 1 A 20 20 LYS CA C 17 56.270 58.864 -2.594 1
1 214 . 2 1 1 A 20 20 LYS CB C 17 32.300 32.037 0.263 1
1 218 . 2 1 1 A 20 20 LYS N N 17 116.689 119.614 -2.925 1
1 219 . 2 1 1 A 21 21 LEU H H 18 6.998 7.414 -0.416 1
1 220 . 2 1 1 A 21 21 LEU HA H 18 4.026 4.211 -0.185 1
1 230 . 2 1 1 A 21 21 LEU C C 18 177.676 177.474 0.202 1
1 231 . 2 1 1 A 21 21 LEU CA C 18 54.567 55.160 -0.593 1
1 232 . 2 1 1 A 21 21 LEU CB C 18 43.357 42.098 1.259 1
1 236 . 2 1 1 A 21 21 LEU N N 18 118.778 121.279 -2.501 1
1 237 . 2 1 1 A 22 22 GLY H H 19 8.370 8.374 -0.004 1
1 238 . 2 1 1 A 22 22 GLY HA2 H 19 4.064 3.945 0.119 1
1 239 . 2 1 1 A 22 22 GLY HA3 H 19 3.845 3.970 -0.125 1
1 240 . 2 1 1 A 22 22 GLY C C 19 174.813 175.313 -0.500 1
1 241 . 2 1 1 A 22 22 GLY CA C 19 45.045 45.191 -0.146 1
1 242 . 2 1 1 A 22 22 GLY N N 19 107.490 109.421 -1.931 1
1 243 . 2 1 1 A 23 23 SER H H 20 8.675 8.756 -0.081 1
1 244 . 2 1 1 A 23 23 SER HA H 20 4.288 3.962 0.326 1
1 247 . 2 1 1 A 23 23 SER CA C 20 58.981 61.155 -2.174 1
1 248 . 2 1 1 A 23 23 SER CB C 20 63.045 62.808 0.237 1
1 249 . 2 1 1 A 23 23 SER N N 20 117.877 117.349 0.528 1
1 250 . 2 1 1 A 24 24 THR H H 21 8.216 7.860 0.356 1
1 251 . 2 1 1 A 24 24 THR HA H 21 3.983 3.926 0.057 1
1 256 . 2 1 1 A 24 24 THR C C 21 176.510 176.541 -0.031 1
1 257 . 2 1 1 A 24 24 THR CA C 21 65.858 66.290 -0.432 1
1 258 . 2 1 1 A 24 24 THR CB C 21 67.941 68.030 -0.089 1
1 260 . 2 1 1 A 24 24 THR N N 21 115.680 117.681 -2.001 1
1 261 . 2 1 1 A 25 25 VAL H H 22 7.143 7.950 -0.807 1
1 262 . 2 1 1 A 25 25 VAL HA H 22 3.545 3.325 0.220 1
1 270 . 2 1 1 A 25 25 VAL C C 22 177.613 177.593 0.020 1
1 271 . 2 1 1 A 25 25 VAL CA C 22 65.577 66.787 -1.210 1
1 272 . 2 1 1 A 25 25 VAL CB C 22 31.544 30.908 0.636 1
1 275 . 2 1 1 A 25 25 VAL N N 22 122.443 121.682 0.761 1
1 276 . 2 1 1 A 26 26 ARG H H 23 7.840 8.130 -0.290 1
1 277 . 2 1 1 A 26 26 ARG HA H 23 3.156 3.581 -0.425 1
1 284 . 2 1 1 A 26 26 ARG C C 23 177.790 178.165 -0.375 1
1 285 . 2 1 1 A 26 26 ARG CA C 23 59.951 58.364 1.587 1
1 286 . 2 1 1 A 26 26 ARG CB C 23 29.590 28.944 0.646 1
1 289 . 2 1 1 A 26 26 ARG N N 23 119.146 119.491 -0.345 1
1 290 . 2 1 1 A 27 27 GLU H H 24 8.159 8.413 -0.254 1
1 291 . 2 1 1 A 27 27 GLU HA H 24 3.970 4.141 -0.171 1
1 296 . 2 1 1 A 27 27 GLU C C 24 179.577 179.293 0.284 1
1 297 . 2 1 1 A 27 27 GLU CA C 24 59.400 59.086 0.314 1
1 298 . 2 1 1 A 27 27 GLU CB C 24 29.013 29.214 -0.201 1
1 300 . 2 1 1 A 27 27 GLU N N 24 116.672 118.619 -1.947 1
1 301 . 2 1 1 A 28 28 GLN H H 25 7.693 7.995 -0.302 1
1 302 . 2 1 1 A 28 28 GLN HA H 25 4.094 4.026 0.068 1
1 309 . 2 1 1 A 28 28 GLN C C 25 179.919 179.106 0.813 1
1 310 . 2 1 1 A 28 28 GLN CA C 25 59.108 58.676 0.432 1
1 311 . 2 1 1 A 28 28 GLN CB C 25 29.575 28.067 1.508 1
1 313 . 2 1 1 A 28 28 GLN N N 25 118.482 119.824 -1.342 1
1 315 . 2 1 1 A 29 29 LEU H H 26 8.441 8.158 0.283 1
1 316 . 2 1 1 A 29 29 LEU HA H 26 4.096 4.085 0.011 1
1 326 . 2 1 1 A 29 29 LEU C C 26 178.804 179.424 -0.620 1
1 327 . 2 1 1 A 29 29 LEU CA C 26 57.983 58.101 -0.118 1
1 328 . 2 1 1 A 29 29 LEU CB C 26 42.513 41.446 1.067 1
1 332 . 2 1 1 A 29 29 LEU N N 26 119.907 120.281 -0.374 1
1 333 . 2 1 1 A 30 30 LYS H H 27 9.233 8.762 0.471 1
1 334 . 2 1 1 A 30 30 LYS HA H 27 4.076 4.183 -0.107 1
1 343 . 2 1 1 A 30 30 LYS C C 27 178.056 178.767 -0.711 1
1 344 . 2 1 1 A 30 30 LYS CA C 27 60.233 59.809 0.424 1
1 345 . 2 1 1 A 30 30 LYS CB C 27 32.103 32.614 -0.511 1
1 349 . 2 1 1 A 30 30 LYS N N 27 120.508 120.578 -0.070 1
1 350 . 2 1 1 A 31 31 LYS H H 28 7.698 7.715 -0.017 1
1 351 . 2 1 1 A 31 31 LYS HA H 28 4.056 4.102 -0.046 1
1 360 . 2 1 1 A 31 31 LYS C C 28 179.539 179.493 0.046 1
1 361 . 2 1 1 A 31 31 LYS CA C 28 59.596 59.816 -0.220 1
1 362 . 2 1 1 A 31 31 LYS CB C 28 32.400 32.212 0.188 1
1 366 . 2 1 1 A 31 31 LYS N N 28 117.412 118.050 -0.638 1
1 367 . 2 1 1 A 32 32 LYS H H 29 7.347 7.649 -0.302 1
1 368 . 2 1 1 A 32 32 LYS HA H 29 4.230 4.044 0.186 1
1 377 . 2 1 1 A 32 32 LYS C C 29 179.057 179.482 -0.425 1
1 378 . 2 1 1 A 32 32 LYS CA C 29 57.553 59.500 -1.947 1
1 379 . 2 1 1 A 32 32 LYS CB C 29 32.103 32.398 -0.295 1
1 383 . 2 1 1 A 32 32 LYS N N 29 116.983 120.124 -3.141 1
1 384 . 2 1 1 A 33 33 LEU H H 30 8.663 8.200 0.463 1
1 385 . 2 1 1 A 33 33 LEU HA H 30 3.844 4.008 -0.164 1
1 395 . 2 1 1 A 33 33 LEU C C 30 177.765 179.059 -1.294 1
1 396 . 2 1 1 A 33 33 LEU CA C 30 57.420 58.135 -0.715 1
1 397 . 2 1 1 A 33 33 LEU CB C 30 42.513 41.874 0.639 1
1 401 . 2 1 1 A 33 33 LEU N N 30 121.134 120.660 0.474 1
1 402 . 2 1 1 A 34 34 VAL H H 31 8.185 8.443 -0.258 1
1 403 . 2 1 1 A 34 34 VAL HA H 31 3.548 3.734 -0.186 1
1 411 . 2 1 1 A 34 34 VAL C C 31 178.639 177.594 1.045 1
1 412 . 2 1 1 A 34 34 VAL CA C 31 66.702 65.599 1.103 1
1 413 . 2 1 1 A 34 34 VAL CB C 31 31.544 31.263 0.281 1
1 416 . 2 1 1 A 34 34 VAL N N 31 117.076 119.229 -2.153 1
1 417 . 2 1 1 A 35 35 GLU H H 32 7.143 8.092 -0.949 1
1 418 . 2 1 1 A 35 35 GLU HA H 32 4.093 4.087 0.006 1
1 423 . 2 1 1 A 35 35 GLU C C 32 179.450 178.656 0.794 1
1 424 . 2 1 1 A 35 35 GLU CA C 32 58.264 59.082 -0.818 1
1 425 . 2 1 1 A 35 35 GLU CB C 32 29.575 29.216 0.359 1
1 427 . 2 1 1 A 35 35 GLU N N 32 117.290 119.922 -2.632 1
1 428 . 2 1 1 A 36 36 VAL H H 33 7.659 8.434 -0.775 1
1 429 . 2 1 1 A 36 36 VAL HA H 33 3.774 3.836 -0.062 1
1 437 . 2 1 1 A 36 36 VAL C C 33 176.929 177.589 -0.660 1
1 438 . 2 1 1 A 36 36 VAL CA C 33 63.889 65.021 -1.132 1
1 439 . 2 1 1 A 36 36 VAL CB C 33 31.825 31.219 0.606 1
1 442 . 2 1 1 A 36 36 VAL N N 33 118.056 119.713 -1.657 1
1 443 . 2 1 1 A 37 37 LEU H H 34 7.679 7.835 -0.156 1
1 444 . 2 1 1 A 37 37 LEU HA H 34 3.619 3.875 -0.256 1
1 454 . 2 1 1 A 37 37 LEU C C 34 177.968 179.653 -1.685 1
1 455 . 2 1 1 A 37 37 LEU CA C 34 57.420 57.187 0.233 1
1 456 . 2 1 1 A 37 37 LEU CB C 34 40.263 41.354 -1.091 1
1 460 . 2 1 1 A 37 37 LEU N N 34 116.847 121.474 -4.627 1
1 461 . 2 1 1 A 38 38 GLU H H 35 7.238 8.645 -1.407 1
1 462 . 2 1 1 A 38 38 GLU HA H 35 4.295 4.386 -0.091 1
1 467 . 2 1 1 A 38 38 GLU C C 35 177.853 176.637 1.216 1
1 468 . 2 1 1 A 38 38 GLU CA C 35 57.900 58.302 -0.402 1
1 469 . 2 1 1 A 38 38 GLU CB C 35 30.138 28.704 1.434 1
1 471 . 2 1 1 A 38 38 GLU N N 35 113.881 117.032 -3.151 1
1 472 . 2 1 1 A 39 39 SER H H 36 7.101 7.901 -0.800 1
1 473 . 2 1 1 A 39 39 SER HA H 36 4.518 4.777 -0.259 1
1 476 . 2 1 1 A 39 39 SER CA C 36 55.553 56.224 -0.671 1
1 477 . 2 1 1 A 39 39 SER CB C 36 61.920 63.529 -1.609 1
1 478 . 2 1 1 A 39 39 SER N N 36 109.128 116.042 -6.914 1
1 479 . 2 1 1 A 40 40 PRO HA H 37 4.363 4.350 0.013 1
1 486 . 2 1 1 A 40 40 PRO C C 37 177.879 176.848 1.031 1
1 487 . 2 1 1 A 40 40 PRO CA C 37 64.705 63.608 1.097 1
1 488 . 2 1 1 A 40 40 PRO CB C 37 32.669 32.161 0.508 1
1 491 . 2 1 1 A 41 41 ARG H H 38 8.299 8.207 0.092 1
1 492 . 2 1 1 A 41 41 ARG HA H 38 3.183 4.124 -0.941 1
1 499 . 2 1 1 A 41 41 ARG C C 38 174.217 175.508 -1.291 1
1 500 . 2 1 1 A 41 41 ARG CA C 38 56.014 55.817 0.197 1
1 501 . 2 1 1 A 41 41 ARG CB C 38 29.571 29.879 -0.308 1
1 504 . 2 1 1 A 41 41 ARG N N 38 121.121 115.603 5.518 1
1 505 . 2 1 1 A 42 42 ILE H H 39 5.995 7.204 -1.209 1
1 506 . 2 1 1 A 42 42 ILE HA H 39 4.177 4.330 -0.153 1
1 516 . 2 1 1 A 42 42 ILE C C 39 176.295 177.568 -1.273 1
1 517 . 2 1 1 A 42 42 ILE CA C 39 59.389 61.516 -2.127 1
1 518 . 2 1 1 A 42 42 ILE CB C 39 39.138 36.892 2.246 1
1 522 . 2 1 1 A 42 42 ILE N N 39 128.247 122.233 6.014 1
1 523 . 2 1 1 A 43 43 GLU H H 40 8.893 8.879 0.014 1
1 524 . 2 1 1 A 43 43 GLU HA H 40 4.174 4.137 0.037 1
1 529 . 2 1 1 A 43 43 GLU C C 40 178.918 178.511 0.407 1
1 530 . 2 1 1 A 43 43 GLU CA C 40 60.336 59.107 1.229 1
1 531 . 2 1 1 A 43 43 GLU CB C 40 29.100 29.115 -0.015 1
1 533 . 2 1 1 A 43 43 GLU N N 40 130.055 127.982 2.073 1
1 534 . 2 1 1 A 44 44 ALA H H 41 8.851 7.890 0.961 1
1 535 . 2 1 1 A 44 44 ALA HA H 41 4.222 4.128 0.094 1
1 539 . 2 1 1 A 44 44 ALA C C 41 178.069 178.823 -0.754 1
1 540 . 2 1 1 A 44 44 ALA CA C 41 54.148 54.718 -0.570 1
1 541 . 2 1 1 A 44 44 ALA CB C 41 18.606 18.239 0.367 1
1 542 . 2 1 1 A 44 44 ALA N N 41 119.773 122.420 -2.647 1
1 543 . 2 1 1 A 45 45 ASN H H 42 8.176 7.824 0.352 1
1 544 . 2 1 1 A 45 45 ASN HA H 42 5.046 4.822 0.224 1
1 549 . 2 1 1 A 45 45 ASN C C 42 174.521 175.244 -0.723 1
1 550 . 2 1 1 A 45 45 ASN CA C 42 51.495 53.095 -1.600 1
1 551 . 2 1 1 A 45 45 ASN CB C 42 38.853 38.980 -0.127 1
1 552 . 2 1 1 A 45 45 ASN N N 42 114.425 113.659 0.766 1
1 554 . 2 1 1 A 46 46 LYS H H 43 7.524 7.448 0.076 1
1 555 . 2 1 1 A 46 46 LYS HA H 43 3.769 3.952 -0.183 1
1 564 . 2 1 1 A 46 46 LYS C C 43 176.143 176.228 -0.085 1
1 565 . 2 1 1 A 46 46 LYS CA C 43 56.858 55.911 0.947 1
1 566 . 2 1 1 A 46 46 LYS CB C 43 33.232 33.012 0.220 1
1 570 . 2 1 1 A 46 46 LYS N N 43 122.393 121.923 0.470 1
1 571 . 2 1 1 A 47 47 LEU H H 44 7.982 8.382 -0.400 1
1 572 . 2 1 1 A 47 47 LEU HA H 44 4.374 4.371 0.003 1
1 582 . 2 1 1 A 47 47 LEU C C 44 176.143 176.343 -0.200 1
1 583 . 2 1 1 A 47 47 LEU CA C 44 53.746 54.185 -0.439 1
1 584 . 2 1 1 A 47 47 LEU CB C 44 41.951 42.425 -0.474 1
1 588 . 2 1 1 A 47 47 LEU N N 44 127.624 125.839 1.785 1
1 589 . 2 1 1 A 48 48 ARG H H 45 8.549 8.598 -0.049 1
1 590 . 2 1 1 A 48 48 ARG HA H 45 4.346 4.179 0.167 1
1 597 . 2 1 1 A 48 48 ARG CA C 45 55.800 57.032 -1.232 1
1 598 . 2 1 1 A 48 48 ARG CB C 45 31.263 30.776 0.487 1
1 601 . 2 1 1 A 48 48 ARG N N 45 125.873 122.681 3.192 1
1 602 . 2 1 1 A 49 49 GLY H H 46 8.800 8.649 0.151 1
1 603 . 2 1 1 A 49 49 GLY HA2 H 46 3.760 3.866 -0.106 1
1 604 . 2 1 1 A 49 49 GLY HA3 H 46 4.070 3.870 0.200 1
1 605 . 2 1 1 A 49 49 GLY C C 46 173.482 173.556 -0.074 1
1 606 . 2 1 1 A 49 49 GLY CA C 46 45.326 45.503 -0.177 1
1 607 . 2 1 1 A 49 49 GLY N N 46 111.980 114.324 -2.344 1
1 608 . 2 1 1 A 50 50 MET H H 47 7.272 7.937 -0.665 1
1 609 . 2 1 1 A 50 50 MET HA H 47 4.921 4.794 0.127 1
1 617 . 2 1 1 A 50 50 MET CA C 47 52.049 52.378 -0.329 1
1 618 . 2 1 1 A 50 50 MET CB C 47 33.794 33.485 0.309 1
1 621 . 2 1 1 A 50 50 MET N N 47 119.077 120.717 -1.640 1
1 622 . 2 1 1 A 51 51 PRO HA H 48 4.294 4.382 -0.088 1
1 629 . 2 1 1 A 51 51 PRO C C 48 176.460 176.789 -0.329 1
1 630 . 2 1 1 A 51 51 PRO CA C 48 63.879 63.106 0.773 1
1 631 . 2 1 1 A 51 51 PRO CB C 48 31.825 31.070 0.755 1
1 634 . 2 1 1 A 52 52 ASP H H 49 8.661 8.419 0.242 1
1 635 . 2 1 1 A 52 52 ASP HA H 49 4.487 4.046 0.441 1
1 638 . 2 1 1 A 52 52 ASP C C 49 174.065 174.860 -0.795 1
1 639 . 2 1 1 A 52 52 ASP CA C 49 56.042 54.895 1.147 1
1 640 . 2 1 1 A 52 52 ASP CB C 49 41.107 39.655 1.452 1
1 641 . 2 1 1 A 52 52 ASP N N 49 116.477 116.977 -0.500 1
1 642 . 2 1 1 A 53 53 CYS H H 50 7.575 7.801 -0.226 1
1 643 . 2 1 1 A 53 53 CYS HA H 50 5.835 5.353 0.482 1
1 646 . 2 1 1 A 53 53 CYS C C 50 173.444 173.224 0.220 1
1 647 . 2 1 1 A 53 53 CYS CA C 50 58.110 57.854 0.256 1
1 648 . 2 1 1 A 53 53 CYS CB C 50 30.700 29.722 0.978 1
1 649 . 2 1 1 A 53 53 CYS N N 50 114.414 117.515 -3.101 1
1 650 . 2 1 1 A 54 54 TYR H H 51 8.806 9.351 -0.545 1
1 651 . 2 1 1 A 54 54 TYR HA H 51 4.737 5.265 -0.528 1
1 658 . 2 1 1 A 54 54 TYR C C 51 172.950 174.239 -1.289 1
1 659 . 2 1 1 A 54 54 TYR CA C 51 56.066 56.103 -0.037 1
1 660 . 2 1 1 A 54 54 TYR CB C 51 42.794 43.178 -0.384 1
1 661 . 2 1 1 A 54 54 TYR N N 51 120.858 120.672 0.186 1
1 662 . 2 1 1 A 55 55 LYS H H 52 8.425 9.110 -0.685 1
1 663 . 2 1 1 A 55 55 LYS HA H 52 5.687 5.402 0.285 1
1 672 . 2 1 1 A 55 55 LYS C C 52 176.498 174.832 1.666 1
1 673 . 2 1 1 A 55 55 LYS CA C 52 53.291 54.301 -1.010 1
1 674 . 2 1 1 A 55 55 LYS CB C 52 36.325 36.023 0.302 1
1 678 . 2 1 1 A 55 55 LYS N N 52 115.794 118.874 -3.080 1
1 679 . 2 1 1 A 56 56 ILE H H 53 9.187 9.309 -0.122 1
1 680 . 2 1 1 A 56 56 ILE HA H 53 4.416 4.819 -0.403 1
1 690 . 2 1 1 A 56 56 ILE C C 53 174.572 175.353 -0.781 1
1 691 . 2 1 1 A 56 56 ILE CA C 53 60.971 59.903 1.068 1
1 692 . 2 1 1 A 56 56 ILE CB C 53 41.388 39.839 1.549 1
1 696 . 2 1 1 A 56 56 ILE N N 53 120.315 123.538 -3.223 1
1 697 . 2 1 1 A 57 57 LYS H H 54 8.755 8.645 0.110 1
1 698 . 2 1 1 A 57 57 LYS HA H 54 5.043 4.957 0.086 1
1 707 . 2 1 1 A 57 57 LYS C C 54 175.193 176.423 -1.230 1
1 708 . 2 1 1 A 57 57 LYS CA C 54 54.359 55.060 -0.701 1
1 709 . 2 1 1 A 57 57 LYS CB C 54 35.482 34.485 0.997 1
1 713 . 2 1 1 A 57 57 LYS N N 54 125.616 125.856 -0.240 1
1 714 . 2 1 1 A 58 58 LEU H H 55 8.449 9.017 -0.568 1
1 715 . 2 1 1 A 58 58 LEU HA H 55 4.796 4.249 0.547 1
1 725 . 2 1 1 A 58 58 LEU CA C 55 53.201 56.115 -2.914 1
1 726 . 2 1 1 A 58 58 LEU CB C 55 41.669 43.513 -1.844 1
1 730 . 2 1 1 A 58 58 LEU N N 55 124.214 123.266 0.948 1
1 731 . 2 1 1 A 59 59 ARG HA H 56 4.008 4.197 -0.189 1
1 738 . 2 1 1 A 59 59 ARG CA C 56 57.420 58.275 -0.855 1
1 739 . 2 1 1 A 59 59 ARG CB C 56 29.575 30.032 -0.457 1
1 742 . 2 1 1 A 60 60 SER HA H 57 4.246 4.213 0.033 1
1 745 . 2 1 1 A 60 60 SER CA C 57 59.798 62.144 -2.346 1
1 746 . 2 1 1 A 60 60 SER CB C 57 63.045 63.484 -0.439 1
1 747 . 2 1 1 A 61 61 SER HA H 58 4.616 4.503 0.113 1
1 750 . 2 1 1 A 61 61 SER C C 58 175.155 174.854 0.301 1
1 751 . 2 1 1 A 61 61 SER CA C 58 58.010 59.172 -1.162 1
1 752 . 2 1 1 A 61 61 SER CB C 58 64.452 63.573 0.879 1
1 753 . 2 1 1 A 62 62 GLY H H 59 8.217 8.538 -0.321 1
1 754 . 2 1 1 A 62 62 GLY HA2 H 59 3.926 3.872 0.054 1
1 755 . 2 1 1 A 62 62 GLY HA3 H 59 4.010 3.893 0.117 1
1 756 . 2 1 1 A 62 62 GLY C C 59 174.407 174.344 0.063 1
1 757 . 2 1 1 A 62 62 GLY CA C 59 45.888 45.864 0.024 1
1 758 . 2 1 1 A 62 62 GLY N N 59 109.272 109.757 -0.485 1
1 759 . 2 1 1 A 63 63 TYR H H 60 7.463 7.960 -0.497 1
1 760 . 2 1 1 A 63 63 TYR HA H 60 4.629 4.693 -0.064 1
1 767 . 2 1 1 A 63 63 TYR C C 60 175.117 174.906 0.211 1
1 768 . 2 1 1 A 63 63 TYR CA C 60 59.857 57.815 2.042 1
1 769 . 2 1 1 A 63 63 TYR CB C 60 41.388 40.332 1.056 1
1 770 . 2 1 1 A 63 63 TYR N N 60 117.638 119.102 -1.464 1
1 771 . 2 1 1 A 64 64 ARG H H 61 9.261 9.248 0.013 1
1 772 . 2 1 1 A 64 64 ARG HA H 61 5.458 5.854 -0.396 1
1 779 . 2 1 1 A 64 64 ARG C C 61 173.596 174.622 -1.026 1
1 780 . 2 1 1 A 64 64 ARG CA C 61 53.880 54.418 -0.538 1
1 781 . 2 1 1 A 64 64 ARG CB C 61 34.357 34.502 -0.145 1
1 784 . 2 1 1 A 64 64 ARG N N 61 119.605 120.900 -1.295 1
1 785 . 2 1 1 A 65 65 LEU H H 62 9.085 9.078 0.007 1
1 786 . 2 1 1 A 65 65 LEU HA H 62 5.432 5.295 0.137 1
1 796 . 2 1 1 A 65 65 LEU C C 62 174.534 174.521 0.013 1
1 797 . 2 1 1 A 65 65 LEU CA C 62 53.795 53.769 0.026 1
1 798 . 2 1 1 A 65 65 LEU CB C 62 46.732 45.888 0.844 1
1 802 . 2 1 1 A 65 65 LEU N N 62 125.189 124.885 0.304 1
1 803 . 2 1 1 A 66 66 VAL H H 63 9.058 9.309 -0.251 1
1 804 . 2 1 1 A 66 66 VAL HA H 63 4.991 5.048 -0.057 1
1 812 . 2 1 1 A 66 66 VAL C C 63 174.699 175.127 -0.428 1
1 813 . 2 1 1 A 66 66 VAL CA C 63 60.795 60.833 -0.038 1
1 814 . 2 1 1 A 66 66 VAL CB C 63 34.075 33.085 0.990 1
1 817 . 2 1 1 A 66 66 VAL N N 63 125.140 126.242 -1.102 1
1 818 . 2 1 1 A 67 67 TYR H H 64 9.091 9.008 0.083 1
1 819 . 2 1 1 A 67 67 TYR HA H 64 5.659 5.573 0.086 1
1 826 . 2 1 1 A 67 67 TYR C C 64 170.910 173.029 -2.119 1
1 827 . 2 1 1 A 67 67 TYR CA C 64 54.286 55.145 -0.859 1
1 828 . 2 1 1 A 67 67 TYR CB C 64 41.951 41.833 0.118 1
1 829 . 2 1 1 A 67 67 TYR N N 64 124.150 124.105 0.045 1
1 830 . 2 1 1 A 68 68 GLN H H 65 9.814 9.433 0.381 1
1 831 . 2 1 1 A 68 68 GLN HA H 65 5.510 5.498 0.012 1
1 838 . 2 1 1 A 68 68 GLN C C 65 175.725 174.687 1.038 1
1 839 . 2 1 1 A 68 68 GLN CA C 65 53.092 54.543 -1.451 1
1 840 . 2 1 1 A 68 68 GLN CB C 65 32.600 31.870 0.730 1
1 842 . 2 1 1 A 68 68 GLN N N 65 123.050 119.178 3.872 1
1 844 . 2 1 1 A 69 69 VAL H H 66 9.198 9.488 -0.290 1
1 845 . 2 1 1 A 69 69 VAL HA H 66 4.369 4.478 -0.109 1
1 853 . 2 1 1 A 69 69 VAL C C 66 175.357 175.087 0.270 1
1 854 . 2 1 1 A 69 69 VAL CA C 66 63.045 62.069 0.976 1
1 855 . 2 1 1 A 69 69 VAL CB C 66 32.669 32.056 0.613 1
1 858 . 2 1 1 A 69 69 VAL N N 66 127.343 123.792 3.551 1
1 859 . 2 1 1 A 70 70 ILE H H 67 9.241 9.341 -0.100 1
1 860 . 2 1 1 A 70 70 ILE HA H 67 4.471 4.407 0.064 1
1 870 . 2 1 1 A 70 70 ILE C C 67 177.081 176.170 0.911 1
1 871 . 2 1 1 A 70 70 ILE CA C 67 59.716 60.891 -1.175 1
1 872 . 2 1 1 A 70 70 ILE CB C 67 37.169 36.983 0.186 1
1 876 . 2 1 1 A 70 70 ILE N N 67 129.254 127.615 1.639 1
1 877 . 2 1 1 A 71 71 ASP H H 68 9.374 8.857 0.517 1
1 878 . 2 1 1 A 71 71 ASP HA H 68 4.574 4.539 0.035 1
1 881 . 2 1 1 A 71 71 ASP C C 68 179.868 177.920 1.948 1
1 882 . 2 1 1 A 71 71 ASP CA C 68 58.797 57.469 1.328 1
1 883 . 2 1 1 A 71 71 ASP CB C 68 40.544 40.769 -0.225 1
1 884 . 2 1 1 A 71 71 ASP N N 68 129.133 128.923 0.210 1
1 885 . 2 1 1 A 72 72 GLU H H 69 9.631 8.331 1.300 1
1 886 . 2 1 1 A 72 72 GLU HA H 69 4.088 4.107 -0.019 1
1 891 . 2 1 1 A 72 72 GLU C C 69 176.865 178.162 -1.297 1
1 892 . 2 1 1 A 72 72 GLU CA C 69 59.670 59.207 0.463 1
1 893 . 2 1 1 A 72 72 GLU CB C 69 29.100 29.673 -0.573 1
1 895 . 2 1 1 A 72 72 GLU N N 69 118.880 118.539 0.341 1
1 896 . 2 1 1 A 73 73 LYS H H 70 6.582 7.770 -1.188 1
1 897 . 2 1 1 A 73 73 LYS HA H 70 4.474 4.391 0.083 1
1 906 . 2 1 1 A 73 73 LYS C C 70 173.964 175.607 -1.643 1
1 907 . 2 1 1 A 73 73 LYS CA C 70 54.604 56.076 -1.472 1
1 908 . 2 1 1 A 73 73 LYS CB C 70 34.075 32.876 1.199 1
1 912 . 2 1 1 A 73 73 LYS N N 70 114.014 117.232 -3.218 1
1 913 . 2 1 1 A 74 74 VAL H H 71 7.791 7.648 0.143 1
1 914 . 2 1 1 A 74 74 VAL HA H 71 2.948 3.587 -0.639 1
1 922 . 2 1 1 A 74 74 VAL C C 71 173.381 174.286 -0.905 1
1 923 . 2 1 1 A 74 74 VAL CA C 71 63.045 63.723 -0.678 1
1 924 . 2 1 1 A 74 74 VAL CB C 71 29.013 29.663 -0.650 1
1 927 . 2 1 1 A 74 74 VAL N N 71 119.301 116.579 2.722 1
1 928 . 2 1 1 A 75 75 VAL H H 72 7.736 8.009 -0.273 1
1 929 . 2 1 1 A 75 75 VAL HA H 72 5.159 5.051 0.108 1
1 937 . 2 1 1 A 75 75 VAL C C 72 175.028 173.867 1.161 1
1 938 . 2 1 1 A 75 75 VAL CA C 72 59.839 60.485 -0.646 1
1 939 . 2 1 1 A 75 75 VAL CB C 72 37.732 35.897 1.835 1
1 942 . 2 1 1 A 75 75 VAL N N 72 116.865 120.182 -3.317 1
1 943 . 2 1 1 A 76 76 VAL H H 73 9.006 9.263 -0.257 1
1 944 . 2 1 1 A 76 76 VAL HA H 73 4.190 4.588 -0.398 1
1 952 . 2 1 1 A 76 76 VAL C C 73 172.177 174.547 -2.370 1
1 953 . 2 1 1 A 76 76 VAL CA C 73 62.473 61.099 1.374 1
1 954 . 2 1 1 A 76 76 VAL CB C 73 32.388 32.004 0.384 1
1 957 . 2 1 1 A 76 76 VAL N N 73 128.675 128.142 0.533 1
1 958 . 2 1 1 A 77 77 PHE H H 74 9.468 9.359 0.109 1
1 959 . 2 1 1 A 77 77 PHE HA H 74 5.019 5.334 -0.315 1
1 966 . 2 1 1 A 77 77 PHE C C 74 174.420 173.971 0.449 1
1 967 . 2 1 1 A 77 77 PHE CA C 74 54.378 55.278 -0.900 1
1 968 . 2 1 1 A 77 77 PHE CB C 74 42.230 41.220 1.010 1
1 969 . 2 1 1 A 77 77 PHE N N 74 130.014 128.434 1.580 1
1 970 . 2 1 1 A 78 78 VAL H H 75 8.990 8.849 0.141 1
1 971 . 2 1 1 A 78 78 VAL HA H 75 3.645 4.030 -0.385 1
1 979 . 2 1 1 A 78 78 VAL C C 75 174.813 175.474 -0.661 1
1 980 . 2 1 1 A 78 78 VAL CA C 75 64.452 63.614 0.838 1
1 981 . 2 1 1 A 78 78 VAL CB C 75 31.009 31.498 -0.489 1
1 984 . 2 1 1 A 78 78 VAL N N 75 128.474 127.290 1.184 1
1 985 . 2 1 1 A 79 79 ILE H H 76 8.679 9.287 -0.608 1
1 986 . 2 1 1 A 79 79 ILE HA H 76 4.171 4.193 -0.022 1
1 996 . 2 1 1 A 79 79 ILE C C 76 176.092 175.892 0.200 1
1 997 . 2 1 1 A 79 79 ILE CA C 76 61.635 62.355 -0.720 1
1 998 . 2 1 1 A 79 79 ILE CB C 76 39.982 38.569 1.413 1
1 1002 . 2 1 1 A 79 79 ILE N N 76 122.334 128.633 -6.299 1
1 1003 . 2 1 1 A 80 80 SER H H 77 7.614 7.814 -0.200 1
1 1004 . 2 1 1 A 80 80 SER HA H 77 4.724 5.046 -0.322 1
1 1007 . 2 1 1 A 80 80 SER C C 77 172.545 172.022 0.523 1
1 1008 . 2 1 1 A 80 80 SER CA C 77 57.849 57.808 0.041 1
1 1009 . 2 1 1 A 80 80 SER CB C 77 64.733 67.114 -2.381 1
1 1010 . 2 1 1 A 80 80 SER N N 77 113.369 114.501 -1.132 1
1 1011 . 2 1 1 A 81 81 VAL H H 78 8.814 8.734 0.080 1
1 1012 . 2 1 1 A 81 81 VAL HA H 78 5.102 5.106 -0.004 1
1 1020 . 2 1 1 A 81 81 VAL C C 78 173.761 174.592 -0.831 1
1 1021 . 2 1 1 A 81 81 VAL CA C 78 61.004 59.784 1.220 1
1 1022 . 2 1 1 A 81 81 VAL CB C 78 34.638 35.985 -1.347 1
1 1025 . 2 1 1 A 81 81 VAL N N 78 123.792 121.391 2.401 1
1 1026 . 2 1 1 A 82 82 GLY H H 79 8.628 8.501 0.127 1
1 1027 . 2 1 1 A 82 82 GLY HA2 H 79 4.365 4.284 0.081 1
1 1028 . 2 1 1 A 82 82 GLY HA3 H 79 4.214 4.438 -0.224 1
1 1029 . 2 1 1 A 82 82 GLY C C 79 171.201 172.032 -0.831 1
1 1030 . 2 1 1 A 82 82 GLY CA C 79 45.606 45.422 0.184 1
1 1031 . 2 1 1 A 82 82 GLY N N 79 111.112 113.164 -2.052 1
1 1032 . 2 1 1 A 83 83 LYS H H 80 8.670 8.156 0.514 1
1 1033 . 2 1 1 A 83 83 LYS HA H 80 4.205 4.963 -0.758 1
1 1042 . 2 1 1 A 83 83 LYS C C 80 176.080 174.897 1.183 1
1 1043 . 2 1 1 A 83 83 LYS CA C 80 55.451 54.079 1.372 1
1 1044 . 2 1 1 A 83 83 LYS CB C 80 32.665 36.093 -3.428 1
1 1048 . 2 1 1 A 83 83 LYS N N 80 120.943 122.966 -2.023 1
1 1049 . 2 1 1 A 84 84 ALA H H 81 8.049 8.170 -0.121 1
1 1050 . 2 1 1 A 84 84 ALA HA H 81 4.182 4.725 -0.543 1
1 1054 . 2 1 1 A 84 84 ALA C C 81 176.941 178.196 -1.255 1
1 1055 . 2 1 1 A 84 84 ALA CA C 81 52.248 50.707 1.541 1
1 1056 . 2 1 1 A 84 84 ALA CB C 81 19.450 19.421 0.029 1
1 1057 . 2 1 1 A 84 84 ALA N N 81 125.262 122.888 2.374 1
1 1058 . 2 1 1 A 85 85 GLU H H 82 8.460 8.074 0.386 1
1 1059 . 2 1 1 A 85 85 GLU HA H 82 4.230 4.070 0.160 1
1 1064 . 2 1 1 A 85 85 GLU C C 82 176.599 177.569 -0.970 1
1 1065 . 2 1 1 A 85 85 GLU CA C 82 56.446 58.944 -2.498 1
1 1066 . 2 1 1 A 85 85 GLU CB C 82 29.853 29.601 0.252 1
1 1068 . 2 1 1 A 85 85 GLU N N 82 119.296 120.304 -1.008 1
1 1069 . 2 1 1 A 86 86 ALA H H 83 8.403 7.934 0.469 1
1 1070 . 2 1 1 A 86 86 ALA HA H 83 4.149 4.486 -0.337 1
1 1074 . 2 1 1 A 86 86 ALA C C 83 177.777 176.488 1.289 1
1 1075 . 2 1 1 A 86 86 ALA CA C 83 53.448 51.216 2.232 1
1 1076 . 2 1 1 A 86 86 ALA CB C 83 18.887 18.483 0.404 1
1 1077 . 2 1 1 A 86 86 ALA N N 83 124.833 119.440 5.393 1
1 1078 . 2 1 1 A 87 87 SER H H 84 8.301 8.303 -0.002 1
1 1079 . 2 1 1 A 87 87 SER HA H 84 4.297 4.410 -0.113 1
1 1082 . 2 1 1 A 87 87 SER C C 84 175.370 174.806 0.564 1
1 1083 . 2 1 1 A 87 87 SER N N 84 113.395 110.728 2.667 1
1 1084 . 2 1 1 A 88 88 GLU H H 85 8.271 8.191 0.080 1
1 1085 . 2 1 1 A 88 88 GLU HA H 85 4.239 4.127 0.112 1
1 1090 . 2 1 1 A 88 88 GLU C C 85 177.081 177.737 -0.656 1
1 1091 . 2 1 1 A 88 88 GLU CA C 85 57.140 59.039 -1.899 1
1 1092 . 2 1 1 A 88 88 GLU CB C 85 29.856 29.455 0.401 1
1 1094 . 2 1 1 A 88 88 GLU N N 85 122.554 119.111 3.443 1
1 1095 . 2 1 1 A 89 89 VAL H H 86 7.833 7.727 0.106 1
1 1096 . 2 1 1 A 89 89 VAL HA H 86 3.895 3.783 0.112 1
1 1104 . 2 1 1 A 89 89 VAL C C 86 177.172 177.367 -0.195 1
1 1105 . 2 1 1 A 89 89 VAL CA C 86 63.045 65.543 -2.498 1
1 1106 . 2 1 1 A 89 89 VAL CB C 86 32.107 30.973 1.134 1
1 1109 . 2 1 1 A 89 89 VAL N N 86 119.916 116.545 3.371 1
1 1110 . 2 1 1 A 90 90 TYR H H 87 8.142 7.257 0.885 1
1 1111 . 2 1 1 A 90 90 TYR HA H 87 4.479 4.388 0.091 1
1 1118 . 2 1 1 A 90 90 TYR C C 87 176.637 178.222 -1.585 1
1 1119 . 2 1 1 A 90 90 TYR CA C 87 58.545 60.723 -2.178 1
1 1120 . 2 1 1 A 90 90 TYR CB C 87 37.732 38.603 -0.871 1
1 1121 . 2 1 1 A 90 90 TYR N N 87 122.303 121.926 0.377 1
1 1122 . 2 1 1 A 91 91 SER H H 88 8.090 8.400 -0.310 1
1 1123 . 2 1 1 A 91 91 SER HA H 88 4.335 4.180 0.155 1
1 1126 . 2 1 1 A 91 91 SER C C 88 176.130 176.048 0.082 1
1 1127 . 2 1 1 A 91 91 SER CA C 88 59.899 62.035 -2.136 1
1 1128 . 2 1 1 A 91 91 SER CB C 88 62.483 62.779 -0.296 1
1 1129 . 2 1 1 A 91 91 SER N N 88 115.828 116.143 -0.315 1
1 1130 . 2 1 1 A 92 92 GLU H H 89 8.234 8.210 0.024 1
1 1131 . 2 1 1 A 92 92 GLU HA H 89 4.213 4.014 0.199 1
1 1136 . 2 1 1 A 92 92 GLU C C 89 177.600 178.524 -0.924 1
1 1137 . 2 1 1 A 92 92 GLU CA C 89 57.701 59.599 -1.898 1
1 1138 . 2 1 1 A 92 92 GLU CB C 89 29.575 29.326 0.249 1
1 1140 . 2 1 1 A 92 92 GLU N N 89 121.225 122.092 -0.867 1
1 1141 . 2 1 1 A 93 93 ALA H H 90 7.960 7.548 0.412 1
1 1142 . 2 1 1 A 93 93 ALA HA H 90 4.025 4.142 -0.117 1
1 1146 . 2 1 1 A 93 93 ALA C C 90 178.550 179.679 -1.129 1
1 1147 . 2 1 1 A 93 93 ALA CA C 90 54.225 55.113 -0.888 1
1 1148 . 2 1 1 A 93 93 ALA CB C 90 18.325 18.650 -0.325 1
1 1149 . 2 1 1 A 93 93 ALA N N 90 122.055 121.961 0.094 1
1 1150 . 2 1 1 A 94 94 VAL H H 91 7.799 8.399 -0.600 1
1 1151 . 2 1 1 A 94 94 VAL HA H 91 3.818 3.859 -0.041 1
1 1159 . 2 1 1 A 94 94 VAL CA C 91 64.167 65.072 -0.905 1
1 1160 . 2 1 1 A 94 94 VAL CB C 91 31.825 31.348 0.477 1
1 1163 . 2 1 1 A 94 94 VAL N N 91 115.727 116.948 -1.221 1
1 1164 . 2 1 1 A 95 95 LYS H H 92 7.764 7.897 -0.133 1
1 1165 . 2 1 1 A 95 95 LYS HA H 92 4.197 4.236 -0.039 1
1 1174 . 2 1 1 A 95 95 LYS C C 92 177.600 178.938 -1.338 1
1 1175 . 2 1 1 A 95 95 LYS CA C 92 57.139 58.887 -1.748 1
1 1176 . 2 1 1 A 95 95 LYS CB C 92 32.600 32.453 0.147 1
1 1180 . 2 1 1 A 95 95 LYS N N 92 120.823 121.898 -1.075 1
1 1181 . 2 1 1 A 96 96 ARG H H 93 7.970 7.570 0.400 1
1 1182 . 2 1 1 A 96 96 ARG HA H 93 4.341 4.156 0.185 1
1 1189 . 2 1 1 A 96 96 ARG C C 93 179.703 178.577 1.126 1
1 1190 . 2 1 1 A 96 96 ARG CA C 93 56.295 58.458 -2.163 1
1 1191 . 2 1 1 A 96 96 ARG CB C 93 31.400 29.791 1.609 1
1 1194 . 2 1 1 A 96 96 ARG N N 93 119.070 120.585 -1.515 1
1 1195 . 2 1 1 A 97 97 ILE H H 94 8.012 7.355 0.657 1
1 1196 . 2 1 1 A 97 97 ILE HA H 94 4.216 4.080 0.136 1
1 1206 . 2 1 1 A 97 97 ILE C C 94 175.509 176.130 -0.621 1
1 1207 . 2 1 1 A 97 97 ILE CA C 94 61.362 63.417 -2.055 1
1 1208 . 2 1 1 A 97 97 ILE CB C 94 38.576 39.093 -0.517 1
1 1212 . 2 1 1 A 97 97 ILE N N 94 120.512 118.967 1.545 1
1 16 . 3 1 1 A 5 5 ALA H H 2 8.084 8.771 -0.687 1
1 17 . 3 1 1 A 5 5 ALA HA H 2 4.423 5.424 -1.001 1
1 21 . 3 1 1 A 5 5 ALA C C 2 176.536 175.298 1.238 1
1 22 . 3 1 1 A 5 5 ALA CA C 2 51.634 49.877 1.757 1
1 23 . 3 1 1 A 5 5 ALA CB C 2 19.439 22.630 -3.191 1
1 24 . 3 1 1 A 5 5 ALA N N 2 125.284 126.141 -0.857 1
1 25 . 3 1 1 A 6 6 TYR H H 3 8.406 8.716 -0.310 1
1 26 . 3 1 1 A 6 6 TYR HA H 3 4.312 4.859 -0.547 1
1 33 . 3 1 1 A 6 6 TYR C C 3 175.433 174.768 0.665 1
1 34 . 3 1 1 A 6 6 TYR CA C 3 57.701 56.318 1.383 1
1 35 . 3 1 1 A 6 6 TYR CB C 3 39.701 42.957 -3.256 1
1 36 . 3 1 1 A 6 6 TYR N N 3 120.887 115.754 5.133 1
1 37 . 3 1 1 A 7 7 PHE H H 4 8.703 9.424 -0.721 1
1 38 . 3 1 1 A 7 7 PHE HA H 4 4.645 4.856 -0.211 1
1 45 . 3 1 1 A 7 7 PHE C C 4 173.812 174.937 -1.125 1
1 46 . 3 1 1 A 7 7 PHE CA C 4 56.853 57.849 -0.996 1
1 47 . 3 1 1 A 7 7 PHE CB C 4 40.541 40.402 0.139 1
1 48 . 3 1 1 A 7 7 PHE N N 4 119.295 120.113 -0.818 1
1 49 . 3 1 1 A 8 8 LEU H H 5 8.255 8.668 -0.413 1
1 50 . 3 1 1 A 8 8 LEU HA H 5 4.985 5.112 -0.127 1
1 60 . 3 1 1 A 8 8 LEU C C 5 174.927 174.470 0.457 1
1 61 . 3 1 1 A 8 8 LEU CA C 5 53.544 53.620 -0.076 1
1 62 . 3 1 1 A 8 8 LEU CB C 5 44.201 45.441 -1.240 1
1 66 . 3 1 1 A 8 8 LEU N N 5 124.516 122.949 1.567 1
1 67 . 3 1 1 A 9 9 ASP H H 6 9.047 8.848 0.199 1
1 68 . 3 1 1 A 9 9 ASP HA H 6 5.089 5.167 -0.078 1
1 71 . 3 1 1 A 9 9 ASP C C 6 173.216 173.723 -0.507 1
1 72 . 3 1 1 A 9 9 ASP CA C 6 52.278 52.762 -0.484 1
1 73 . 3 1 1 A 9 9 ASP CB C 6 45.326 45.197 0.129 1
1 74 . 3 1 1 A 9 9 ASP N N 6 126.171 124.544 1.627 1
1 75 . 3 1 1 A 10 10 PHE H H 7 8.891 8.574 0.317 1
1 76 . 3 1 1 A 10 10 PHE HA H 7 4.545 4.494 0.051 1
1 83 . 3 1 1 A 10 10 PHE C C 7 175.218 174.147 1.071 1
1 84 . 3 1 1 A 10 10 PHE CA C 7 56.243 56.172 0.071 1
1 85 . 3 1 1 A 10 10 PHE CB C 7 43.638 42.798 0.840 1
1 86 . 3 1 1 A 10 10 PHE N N 7 119.178 119.109 0.069 1
1 87 . 3 1 1 A 11 11 ASP H H 8 8.124 8.228 -0.104 1
1 88 . 3 1 1 A 11 11 ASP HA H 8 4.551 4.590 -0.039 1
1 91 . 3 1 1 A 11 11 ASP C C 8 177.157 177.501 -0.344 1
1 92 . 3 1 1 A 11 11 ASP CA C 8 54.315 54.240 0.075 1
1 93 . 3 1 1 A 11 11 ASP CB C 8 44.201 42.665 1.536 1
1 94 . 3 1 1 A 11 11 ASP N N 8 123.305 123.312 -0.007 1
1 95 . 3 1 1 A 12 12 GLU H H 9 9.197 9.039 0.158 1
1 96 . 3 1 1 A 12 12 GLU HA H 9 4.016 4.101 -0.085 1
1 101 . 3 1 1 A 12 12 GLU C C 9 178.880 178.676 0.204 1
1 102 . 3 1 1 A 12 12 GLU CA C 9 60.365 59.178 1.187 1
1 103 . 3 1 1 A 12 12 GLU CB C 9 29.670 29.106 0.564 1
1 105 . 3 1 1 A 12 12 GLU N N 9 127.082 123.115 3.967 1
1 106 . 3 1 1 A 13 13 ARG H H 10 8.949 8.614 0.335 1
1 107 . 3 1 1 A 13 13 ARG HA H 10 4.097 4.033 0.064 1
1 114 . 3 1 1 A 13 13 ARG C C 10 179.273 178.999 0.274 1
1 115 . 3 1 1 A 13 13 ARG CA C 10 58.924 59.087 -0.163 1
1 116 . 3 1 1 A 13 13 ARG CB C 10 30.138 29.980 0.158 1
1 119 . 3 1 1 A 13 13 ARG N N 10 119.265 119.184 0.081 1
1 120 . 3 1 1 A 14 14 ALA H H 11 7.451 8.167 -0.716 1
1 121 . 3 1 1 A 14 14 ALA HA H 11 4.685 4.163 0.522 1
1 125 . 3 1 1 A 14 14 ALA C C 11 179.564 180.400 -0.836 1
1 126 . 3 1 1 A 14 14 ALA CA C 11 53.705 55.063 -1.358 1
1 127 . 3 1 1 A 14 14 ALA CB C 11 18.325 18.402 -0.077 1
1 128 . 3 1 1 A 14 14 ALA N N 11 122.421 122.396 0.025 1
1 129 . 3 1 1 A 15 15 LEU H H 12 8.683 8.134 0.549 1
1 130 . 3 1 1 A 15 15 LEU HA H 12 3.877 3.805 0.072 1
1 140 . 3 1 1 A 15 15 LEU C C 12 178.550 179.293 -0.743 1
1 141 . 3 1 1 A 15 15 LEU CA C 12 57.139 57.599 -0.460 1
1 142 . 3 1 1 A 15 15 LEU CB C 12 41.103 41.202 -0.099 1
1 146 . 3 1 1 A 15 15 LEU N N 12 120.118 119.548 0.570 1
1 147 . 3 1 1 A 16 16 LYS H H 13 7.345 8.004 -0.659 1
1 148 . 3 1 1 A 16 16 LYS HA H 13 3.995 3.816 0.179 1
1 157 . 3 1 1 A 16 16 LYS C C 13 179.678 179.683 -0.005 1
1 158 . 3 1 1 A 16 16 LYS CA C 13 59.700 60.471 -0.771 1
1 159 . 3 1 1 A 16 16 LYS CB C 13 32.388 32.112 0.276 1
1 163 . 3 1 1 A 16 16 LYS N N 13 117.725 117.697 0.028 1
1 164 . 3 1 1 A 17 17 GLU H H 14 7.453 7.948 -0.495 1
1 165 . 3 1 1 A 17 17 GLU HA H 14 4.016 4.112 -0.096 1
1 170 . 3 1 1 A 17 17 GLU C C 14 179.589 179.054 0.535 1
1 171 . 3 1 1 A 17 17 GLU CA C 14 58.841 59.118 -0.277 1
1 172 . 3 1 1 A 17 17 GLU CB C 14 29.298 29.382 -0.084 1
1 174 . 3 1 1 A 17 17 GLU N N 14 118.019 119.598 -1.579 1
1 175 . 3 1 1 A 18 18 TRP H H 15 9.081 8.492 0.589 1
1 176 . 3 1 1 A 18 18 TRP HA H 15 4.174 4.220 -0.046 1
1 183 . 3 1 1 A 18 18 TRP C C 15 178.360 178.376 -0.016 1
1 184 . 3 1 1 A 18 18 TRP CA C 15 59.938 61.095 -1.157 1
1 185 . 3 1 1 A 18 18 TRP CB C 15 30.241 29.529 0.712 1
1 186 . 3 1 1 A 18 18 TRP N N 15 122.628 121.857 0.771 1
1 188 . 3 1 1 A 19 19 ARG H H 16 8.197 8.164 0.033 1
1 189 . 3 1 1 A 19 19 ARG HA H 16 3.863 4.140 -0.277 1
1 196 . 3 1 1 A 19 19 ARG C C 16 177.030 178.992 -1.962 1
1 197 . 3 1 1 A 19 19 ARG CA C 16 58.516 58.769 -0.253 1
1 198 . 3 1 1 A 19 19 ARG CB C 16 30.300 29.795 0.505 1
1 201 . 3 1 1 A 19 19 ARG N N 16 115.582 118.536 -2.954 1
1 202 . 3 1 1 A 20 20 LYS H H 17 7.308 7.641 -0.333 1
1 203 . 3 1 1 A 20 20 LYS HA H 17 4.238 4.120 0.118 1
1 212 . 3 1 1 A 20 20 LYS C C 17 177.043 177.133 -0.090 1
1 213 . 3 1 1 A 20 20 LYS CA C 17 56.270 59.015 -2.745 1
1 214 . 3 1 1 A 20 20 LYS CB C 17 32.300 31.843 0.457 1
1 218 . 3 1 1 A 20 20 LYS N N 17 116.689 119.544 -2.855 1
1 219 . 3 1 1 A 21 21 LEU H H 18 6.998 7.565 -0.567 1
1 220 . 3 1 1 A 21 21 LEU HA H 18 4.026 4.186 -0.160 1
1 230 . 3 1 1 A 21 21 LEU C C 18 177.676 177.472 0.204 1
1 231 . 3 1 1 A 21 21 LEU CA C 18 54.567 55.141 -0.574 1
1 232 . 3 1 1 A 21 21 LEU CB C 18 43.357 42.047 1.310 1
1 236 . 3 1 1 A 21 21 LEU N N 18 118.778 121.690 -2.912 1
1 237 . 3 1 1 A 22 22 GLY H H 19 8.370 8.333 0.037 1
1 238 . 3 1 1 A 22 22 GLY HA2 H 19 4.064 3.917 0.147 1
1 239 . 3 1 1 A 22 22 GLY HA3 H 19 3.845 3.953 -0.108 1
1 240 . 3 1 1 A 22 22 GLY C C 19 174.813 174.709 0.104 1
1 241 . 3 1 1 A 22 22 GLY CA C 19 45.045 45.188 -0.143 1
1 242 . 3 1 1 A 22 22 GLY N N 19 107.490 109.184 -1.694 1
1 243 . 3 1 1 A 23 23 SER H H 20 8.675 8.757 -0.082 1
1 244 . 3 1 1 A 23 23 SER HA H 20 4.288 3.940 0.348 1
1 247 . 3 1 1 A 23 23 SER CA C 20 58.981 62.557 -3.576 1
1 248 . 3 1 1 A 23 23 SER CB C 20 63.045 62.690 0.355 1
1 249 . 3 1 1 A 23 23 SER N N 20 117.877 117.726 0.151 1
1 250 . 3 1 1 A 24 24 THR H H 21 8.216 7.927 0.289 1
1 251 . 3 1 1 A 24 24 THR HA H 21 3.983 3.901 0.082 1
1 256 . 3 1 1 A 24 24 THR C C 21 176.510 176.660 -0.150 1
1 257 . 3 1 1 A 24 24 THR CA C 21 65.858 66.622 -0.764 1
1 258 . 3 1 1 A 24 24 THR CB C 21 67.941 68.044 -0.103 1
1 260 . 3 1 1 A 24 24 THR N N 21 115.680 117.487 -1.807 1
1 261 . 3 1 1 A 25 25 VAL H H 22 7.143 8.037 -0.894 1
1 262 . 3 1 1 A 25 25 VAL HA H 22 3.545 3.364 0.181 1
1 270 . 3 1 1 A 25 25 VAL C C 22 177.613 177.654 -0.041 1
1 271 . 3 1 1 A 25 25 VAL CA C 22 65.577 66.764 -1.187 1
1 272 . 3 1 1 A 25 25 VAL CB C 22 31.544 31.186 0.358 1
1 275 . 3 1 1 A 25 25 VAL N N 22 122.443 121.390 1.053 1
1 276 . 3 1 1 A 26 26 ARG H H 23 7.840 8.119 -0.279 1
1 277 . 3 1 1 A 26 26 ARG HA H 23 3.156 3.627 -0.471 1
1 284 . 3 1 1 A 26 26 ARG C C 23 177.790 178.273 -0.483 1
1 285 . 3 1 1 A 26 26 ARG CA C 23 59.951 58.434 1.517 1
1 286 . 3 1 1 A 26 26 ARG CB C 23 29.590 29.060 0.530 1
1 289 . 3 1 1 A 26 26 ARG N N 23 119.146 119.615 -0.469 1
1 290 . 3 1 1 A 27 27 GLU H H 24 8.159 8.407 -0.248 1
1 291 . 3 1 1 A 27 27 GLU HA H 24 3.970 4.079 -0.109 1
1 296 . 3 1 1 A 27 27 GLU C C 24 179.577 179.642 -0.065 1
1 297 . 3 1 1 A 27 27 GLU CA C 24 59.400 59.186 0.214 1
1 298 . 3 1 1 A 27 27 GLU CB C 24 29.013 29.201 -0.188 1
1 300 . 3 1 1 A 27 27 GLU N N 24 116.672 118.466 -1.794 1
1 301 . 3 1 1 A 28 28 GLN H H 25 7.693 7.580 0.113 1
1 302 . 3 1 1 A 28 28 GLN HA H 25 4.094 4.068 0.026 1
1 309 . 3 1 1 A 28 28 GLN C C 25 179.919 179.306 0.613 1
1 310 . 3 1 1 A 28 28 GLN CA C 25 59.108 58.429 0.679 1
1 311 . 3 1 1 A 28 28 GLN CB C 25 29.575 28.376 1.199 1
1 313 . 3 1 1 A 28 28 GLN N N 25 118.482 119.627 -1.145 1
1 315 . 3 1 1 A 29 29 LEU H H 26 8.441 8.159 0.282 1
1 316 . 3 1 1 A 29 29 LEU HA H 26 4.096 4.106 -0.010 1
1 326 . 3 1 1 A 29 29 LEU C C 26 178.804 179.664 -0.860 1
1 327 . 3 1 1 A 29 29 LEU CA C 26 57.983 58.109 -0.126 1
1 328 . 3 1 1 A 29 29 LEU CB C 26 42.513 41.400 1.113 1
1 332 . 3 1 1 A 29 29 LEU N N 26 119.907 120.166 -0.259 1
1 333 . 3 1 1 A 30 30 LYS H H 27 9.233 8.924 0.309 1
1 334 . 3 1 1 A 30 30 LYS HA H 27 4.076 4.257 -0.181 1
1 343 . 3 1 1 A 30 30 LYS C C 27 178.056 178.893 -0.837 1
1 344 . 3 1 1 A 30 30 LYS CA C 27 60.233 59.376 0.857 1
1 345 . 3 1 1 A 30 30 LYS CB C 27 32.103 32.139 -0.036 1
1 349 . 3 1 1 A 30 30 LYS N N 27 120.508 118.687 1.821 1
1 350 . 3 1 1 A 31 31 LYS H H 28 7.698 7.586 0.112 1
1 351 . 3 1 1 A 31 31 LYS HA H 28 4.056 4.112 -0.056 1
1 360 . 3 1 1 A 31 31 LYS C C 28 179.539 179.489 0.050 1
1 361 . 3 1 1 A 31 31 LYS CA C 28 59.596 59.842 -0.246 1
1 362 . 3 1 1 A 31 31 LYS CB C 28 32.400 32.233 0.167 1
1 366 . 3 1 1 A 31 31 LYS N N 28 117.412 119.322 -1.910 1
1 367 . 3 1 1 A 32 32 LYS H H 29 7.347 7.395 -0.048 1
1 368 . 3 1 1 A 32 32 LYS HA H 29 4.230 4.018 0.212 1
1 377 . 3 1 1 A 32 32 LYS C C 29 179.057 179.246 -0.189 1
1 378 . 3 1 1 A 32 32 LYS CA C 29 57.553 59.598 -2.045 1
1 379 . 3 1 1 A 32 32 LYS CB C 29 32.103 32.395 -0.292 1
1 383 . 3 1 1 A 32 32 LYS N N 29 116.983 120.133 -3.150 1
1 384 . 3 1 1 A 33 33 LEU H H 30 8.663 8.019 0.644 1
1 385 . 3 1 1 A 33 33 LEU HA H 30 3.844 3.963 -0.119 1
1 395 . 3 1 1 A 33 33 LEU C C 30 177.765 179.202 -1.437 1
1 396 . 3 1 1 A 33 33 LEU CA C 30 57.420 58.128 -0.708 1
1 397 . 3 1 1 A 33 33 LEU CB C 30 42.513 41.877 0.636 1
1 401 . 3 1 1 A 33 33 LEU N N 30 121.134 120.622 0.512 1
1 402 . 3 1 1 A 34 34 VAL H H 31 8.185 8.107 0.078 1
1 403 . 3 1 1 A 34 34 VAL HA H 31 3.548 3.744 -0.196 1
1 411 . 3 1 1 A 34 34 VAL C C 31 178.639 177.494 1.145 1
1 412 . 3 1 1 A 34 34 VAL CA C 31 66.702 65.487 1.215 1
1 413 . 3 1 1 A 34 34 VAL CB C 31 31.544 31.423 0.121 1
1 416 . 3 1 1 A 34 34 VAL N N 31 117.076 119.118 -2.042 1
1 417 . 3 1 1 A 35 35 GLU H H 32 7.143 8.217 -1.074 1
1 418 . 3 1 1 A 35 35 GLU HA H 32 4.093 4.067 0.026 1
1 423 . 3 1 1 A 35 35 GLU C C 32 179.450 178.647 0.803 1
1 424 . 3 1 1 A 35 35 GLU CA C 32 58.264 59.084 -0.820 1
1 425 . 3 1 1 A 35 35 GLU CB C 32 29.575 29.183 0.392 1
1 427 . 3 1 1 A 35 35 GLU N N 32 117.290 119.985 -2.695 1
1 428 . 3 1 1 A 36 36 VAL H H 33 7.659 8.363 -0.704 1
1 429 . 3 1 1 A 36 36 VAL HA H 33 3.774 3.849 -0.075 1
1 437 . 3 1 1 A 36 36 VAL C C 33 176.929 177.723 -0.794 1
1 438 . 3 1 1 A 36 36 VAL CA C 33 63.889 65.022 -1.133 1
1 439 . 3 1 1 A 36 36 VAL CB C 33 31.825 31.192 0.633 1
1 442 . 3 1 1 A 36 36 VAL N N 33 118.056 119.772 -1.716 1
1 443 . 3 1 1 A 37 37 LEU H H 34 7.679 7.801 -0.122 1
1 444 . 3 1 1 A 37 37 LEU HA H 34 3.619 3.964 -0.345 1
1 454 . 3 1 1 A 37 37 LEU C C 34 177.968 179.122 -1.154 1
1 455 . 3 1 1 A 37 37 LEU CA C 34 57.420 57.298 0.122 1
1 456 . 3 1 1 A 37 37 LEU CB C 34 40.263 41.453 -1.190 1
1 460 . 3 1 1 A 37 37 LEU N N 34 116.847 121.310 -4.463 1
1 461 . 3 1 1 A 38 38 GLU H H 35 7.238 8.353 -1.115 1
1 462 . 3 1 1 A 38 38 GLU HA H 35 4.295 4.212 0.083 1
1 467 . 3 1 1 A 38 38 GLU C C 35 177.853 176.809 1.044 1
1 468 . 3 1 1 A 38 38 GLU CA C 35 57.900 58.029 -0.129 1
1 469 . 3 1 1 A 38 38 GLU CB C 35 30.138 28.604 1.534 1
1 471 . 3 1 1 A 38 38 GLU N N 35 113.881 116.396 -2.515 1
1 472 . 3 1 1 A 39 39 SER H H 36 7.101 7.983 -0.882 1
1 473 . 3 1 1 A 39 39 SER HA H 36 4.518 5.011 -0.493 1
1 476 . 3 1 1 A 39 39 SER CA C 36 55.553 55.745 -0.192 1
1 477 . 3 1 1 A 39 39 SER CB C 36 61.920 63.425 -1.505 1
1 478 . 3 1 1 A 39 39 SER N N 36 109.128 115.872 -6.744 1
1 479 . 3 1 1 A 40 40 PRO HA H 37 4.363 4.334 0.029 1
1 486 . 3 1 1 A 40 40 PRO C C 37 177.879 176.810 1.069 1
1 487 . 3 1 1 A 40 40 PRO CA C 37 64.705 63.675 1.030 1
1 488 . 3 1 1 A 40 40 PRO CB C 37 32.669 31.539 1.130 1
1 491 . 3 1 1 A 41 41 ARG H H 38 8.299 8.361 -0.062 1
1 492 . 3 1 1 A 41 41 ARG HA H 38 3.183 4.338 -1.155 1
1 499 . 3 1 1 A 41 41 ARG C C 38 174.217 175.818 -1.601 1
1 500 . 3 1 1 A 41 41 ARG CA C 38 56.014 56.542 -0.528 1
1 501 . 3 1 1 A 41 41 ARG CB C 38 29.571 29.900 -0.329 1
1 504 . 3 1 1 A 41 41 ARG N N 38 121.121 115.398 5.723 1
1 505 . 3 1 1 A 42 42 ILE H H 39 5.995 7.451 -1.456 1
1 506 . 3 1 1 A 42 42 ILE HA H 39 4.177 4.362 -0.185 1
1 516 . 3 1 1 A 42 42 ILE C C 39 176.295 177.338 -1.043 1
1 517 . 3 1 1 A 42 42 ILE CA C 39 59.389 61.361 -1.972 1
1 518 . 3 1 1 A 42 42 ILE CB C 39 39.138 36.664 2.474 1
1 522 . 3 1 1 A 42 42 ILE N N 39 128.247 122.211 6.036 1
1 523 . 3 1 1 A 43 43 GLU H H 40 8.893 8.956 -0.063 1
1 524 . 3 1 1 A 43 43 GLU HA H 40 4.174 4.175 -0.001 1
1 529 . 3 1 1 A 43 43 GLU C C 40 178.918 178.241 0.677 1
1 530 . 3 1 1 A 43 43 GLU CA C 40 60.336 58.834 1.502 1
1 531 . 3 1 1 A 43 43 GLU CB C 40 29.100 29.094 0.006 1
1 533 . 3 1 1 A 43 43 GLU N N 40 130.055 127.613 2.442 1
1 534 . 3 1 1 A 44 44 ALA H H 41 8.851 7.778 1.073 1
1 535 . 3 1 1 A 44 44 ALA HA H 41 4.222 4.133 0.089 1
1 539 . 3 1 1 A 44 44 ALA C C 41 178.069 178.220 -0.151 1
1 540 . 3 1 1 A 44 44 ALA CA C 41 54.148 54.168 -0.020 1
1 541 . 3 1 1 A 44 44 ALA CB C 41 18.606 18.323 0.283 1
1 542 . 3 1 1 A 44 44 ALA N N 41 119.773 122.812 -3.039 1
1 543 . 3 1 1 A 45 45 ASN H H 42 8.176 8.065 0.111 1
1 544 . 3 1 1 A 45 45 ASN HA H 42 5.046 4.793 0.253 1
1 549 . 3 1 1 A 45 45 ASN C C 42 174.521 175.127 -0.606 1
1 550 . 3 1 1 A 45 45 ASN CA C 42 51.495 53.223 -1.728 1
1 551 . 3 1 1 A 45 45 ASN CB C 42 38.853 39.514 -0.661 1
1 552 . 3 1 1 A 45 45 ASN N N 42 114.425 114.549 -0.124 1
1 554 . 3 1 1 A 46 46 LYS H H 43 7.524 7.457 0.067 1
1 555 . 3 1 1 A 46 46 LYS HA H 43 3.769 4.300 -0.531 1
1 564 . 3 1 1 A 46 46 LYS C C 43 176.143 175.790 0.353 1
1 565 . 3 1 1 A 46 46 LYS CA C 43 56.858 55.657 1.201 1
1 566 . 3 1 1 A 46 46 LYS CB C 43 33.232 33.212 0.020 1
1 570 . 3 1 1 A 46 46 LYS N N 43 122.393 122.021 0.372 1
1 571 . 3 1 1 A 47 47 LEU H H 44 7.982 8.799 -0.817 1
1 572 . 3 1 1 A 47 47 LEU HA H 44 4.374 4.687 -0.313 1
1 582 . 3 1 1 A 47 47 LEU C C 44 176.143 175.466 0.677 1
1 583 . 3 1 1 A 47 47 LEU CA C 44 53.746 53.608 0.138 1
1 584 . 3 1 1 A 47 47 LEU CB C 44 41.951 42.378 -0.427 1
1 588 . 3 1 1 A 47 47 LEU N N 44 127.624 126.021 1.603 1
1 589 . 3 1 1 A 48 48 ARG H H 45 8.549 8.651 -0.102 1
1 590 . 3 1 1 A 48 48 ARG HA H 45 4.346 4.307 0.039 1
1 597 . 3 1 1 A 48 48 ARG CA C 45 55.800 57.100 -1.300 1
1 598 . 3 1 1 A 48 48 ARG CB C 45 31.263 30.884 0.379 1
1 601 . 3 1 1 A 48 48 ARG N N 45 125.873 124.737 1.136 1
1 602 . 3 1 1 A 49 49 GLY H H 46 8.800 8.775 0.025 1
1 603 . 3 1 1 A 49 49 GLY HA2 H 46 3.760 3.940 -0.180 1
1 604 . 3 1 1 A 49 49 GLY HA3 H 46 4.070 3.943 0.127 1
1 605 . 3 1 1 A 49 49 GLY C C 46 173.482 173.701 -0.219 1
1 606 . 3 1 1 A 49 49 GLY CA C 46 45.326 44.922 0.404 1
1 607 . 3 1 1 A 49 49 GLY N N 46 111.980 114.403 -2.423 1
1 608 . 3 1 1 A 50 50 MET H H 47 7.272 7.489 -0.217 1
1 609 . 3 1 1 A 50 50 MET HA H 47 4.921 4.802 0.119 1
1 617 . 3 1 1 A 50 50 MET CA C 47 52.049 52.618 -0.569 1
1 618 . 3 1 1 A 50 50 MET CB C 47 33.794 34.132 -0.338 1
1 621 . 3 1 1 A 50 50 MET N N 47 119.077 120.571 -1.494 1
1 622 . 3 1 1 A 51 51 PRO HA H 48 4.294 4.360 -0.066 1
1 629 . 3 1 1 A 51 51 PRO C C 48 176.460 176.747 -0.287 1
1 630 . 3 1 1 A 51 51 PRO CA C 48 63.879 63.067 0.812 1
1 631 . 3 1 1 A 51 51 PRO CB C 48 31.825 30.890 0.935 1
1 634 . 3 1 1 A 52 52 ASP H H 49 8.661 8.400 0.261 1
1 635 . 3 1 1 A 52 52 ASP HA H 49 4.487 3.922 0.565 1
1 638 . 3 1 1 A 52 52 ASP C C 49 174.065 175.014 -0.949 1
1 639 . 3 1 1 A 52 52 ASP CA C 49 56.042 54.848 1.194 1
1 640 . 3 1 1 A 52 52 ASP CB C 49 41.107 39.535 1.572 1
1 641 . 3 1 1 A 52 52 ASP N N 49 116.477 116.975 -0.498 1
1 642 . 3 1 1 A 53 53 CYS H H 50 7.575 7.778 -0.203 1
1 643 . 3 1 1 A 53 53 CYS HA H 50 5.835 5.227 0.608 1
1 646 . 3 1 1 A 53 53 CYS C C 50 173.444 173.103 0.341 1
1 647 . 3 1 1 A 53 53 CYS CA C 50 58.110 57.840 0.270 1
1 648 . 3 1 1 A 53 53 CYS CB C 50 30.700 29.783 0.917 1
1 649 . 3 1 1 A 53 53 CYS N N 50 114.414 117.109 -2.695 1
1 650 . 3 1 1 A 54 54 TYR H H 51 8.806 9.157 -0.351 1
1 651 . 3 1 1 A 54 54 TYR HA H 51 4.737 5.341 -0.604 1
1 658 . 3 1 1 A 54 54 TYR C C 51 172.950 174.061 -1.111 1
1 659 . 3 1 1 A 54 54 TYR CA C 51 56.066 56.174 -0.108 1
1 660 . 3 1 1 A 54 54 TYR CB C 51 42.794 43.172 -0.378 1
1 661 . 3 1 1 A 54 54 TYR N N 51 120.858 120.671 0.187 1
1 662 . 3 1 1 A 55 55 LYS H H 52 8.425 8.869 -0.444 1
1 663 . 3 1 1 A 55 55 LYS HA H 52 5.687 5.201 0.486 1
1 672 . 3 1 1 A 55 55 LYS C C 52 176.498 174.742 1.756 1
1 673 . 3 1 1 A 55 55 LYS CA C 52 53.291 54.274 -0.983 1
1 674 . 3 1 1 A 55 55 LYS CB C 52 36.325 36.253 0.072 1
1 678 . 3 1 1 A 55 55 LYS N N 52 115.794 118.260 -2.466 1
1 679 . 3 1 1 A 56 56 ILE H H 53 9.187 8.985 0.202 1
1 680 . 3 1 1 A 56 56 ILE HA H 53 4.416 4.938 -0.522 1
1 690 . 3 1 1 A 56 56 ILE C C 53 174.572 175.030 -0.458 1
1 691 . 3 1 1 A 56 56 ILE CA C 53 60.971 59.837 1.134 1
1 692 . 3 1 1 A 56 56 ILE CB C 53 41.388 40.329 1.059 1
1 696 . 3 1 1 A 56 56 ILE N N 53 120.315 123.153 -2.838 1
1 697 . 3 1 1 A 57 57 LYS H H 54 8.755 9.023 -0.268 1
1 698 . 3 1 1 A 57 57 LYS HA H 54 5.043 5.269 -0.226 1
1 707 . 3 1 1 A 57 57 LYS C C 54 175.193 175.040 0.153 1
1 708 . 3 1 1 A 57 57 LYS CA C 54 54.359 54.607 -0.248 1
1 709 . 3 1 1 A 57 57 LYS CB C 54 35.482 36.231 -0.749 1
1 713 . 3 1 1 A 57 57 LYS N N 54 125.616 124.006 1.610 1
1 714 . 3 1 1 A 58 58 LEU H H 55 8.449 8.862 -0.413 1
1 715 . 3 1 1 A 58 58 LEU HA H 55 4.796 4.550 0.246 1
1 725 . 3 1 1 A 58 58 LEU CA C 55 53.201 54.436 -1.235 1
1 726 . 3 1 1 A 58 58 LEU CB C 55 41.669 42.229 -0.560 1
1 730 . 3 1 1 A 58 58 LEU N N 55 124.214 124.092 0.122 1
1 731 . 3 1 1 A 59 59 ARG HA H 56 4.008 4.483 -0.475 1
1 738 . 3 1 1 A 59 59 ARG CA C 56 57.420 57.100 0.320 1
1 739 . 3 1 1 A 59 59 ARG CB C 56 29.575 31.165 -1.590 1
1 742 . 3 1 1 A 60 60 SER HA H 57 4.246 4.494 -0.248 1
1 745 . 3 1 1 A 60 60 SER CA C 57 59.798 59.075 0.723 1
1 746 . 3 1 1 A 60 60 SER CB C 57 63.045 63.723 -0.678 1
1 747 . 3 1 1 A 61 61 SER HA H 58 4.616 4.942 -0.326 1
1 750 . 3 1 1 A 61 61 SER C C 58 175.155 174.363 0.792 1
1 751 . 3 1 1 A 61 61 SER CA C 58 58.010 57.795 0.215 1
1 752 . 3 1 1 A 61 61 SER CB C 58 64.452 67.455 -3.003 1
1 753 . 3 1 1 A 62 62 GLY H H 59 8.217 8.691 -0.474 1
1 754 . 3 1 1 A 62 62 GLY HA2 H 59 3.926 3.958 -0.032 1
1 755 . 3 1 1 A 62 62 GLY HA3 H 59 4.010 3.991 0.019 1
1 756 . 3 1 1 A 62 62 GLY C C 59 174.407 173.815 0.592 1
1 757 . 3 1 1 A 62 62 GLY CA C 59 45.888 45.609 0.279 1
1 758 . 3 1 1 A 62 62 GLY N N 59 109.272 112.051 -2.779 1
1 759 . 3 1 1 A 63 63 TYR H H 60 7.463 8.015 -0.552 1
1 760 . 3 1 1 A 63 63 TYR HA H 60 4.629 4.886 -0.257 1
1 767 . 3 1 1 A 63 63 TYR C C 60 175.117 176.396 -1.279 1
1 768 . 3 1 1 A 63 63 TYR CA C 60 59.857 58.434 1.423 1
1 769 . 3 1 1 A 63 63 TYR CB C 60 41.388 39.914 1.474 1
1 770 . 3 1 1 A 63 63 TYR N N 60 117.638 119.847 -2.209 1
1 771 . 3 1 1 A 64 64 ARG H H 61 9.261 9.207 0.054 1
1 772 . 3 1 1 A 64 64 ARG HA H 61 5.458 5.752 -0.294 1
1 779 . 3 1 1 A 64 64 ARG C C 61 173.596 174.672 -1.076 1
1 780 . 3 1 1 A 64 64 ARG CA C 61 53.880 54.293 -0.413 1
1 781 . 3 1 1 A 64 64 ARG CB C 61 34.357 33.996 0.361 1
1 784 . 3 1 1 A 64 64 ARG N N 61 119.605 121.643 -2.038 1
1 785 . 3 1 1 A 65 65 LEU H H 62 9.085 9.044 0.041 1
1 786 . 3 1 1 A 65 65 LEU HA H 62 5.432 5.228 0.204 1
1 796 . 3 1 1 A 65 65 LEU C C 62 174.534 174.525 0.009 1
1 797 . 3 1 1 A 65 65 LEU CA C 62 53.795 54.058 -0.263 1
1 798 . 3 1 1 A 65 65 LEU CB C 62 46.732 45.848 0.884 1
1 802 . 3 1 1 A 65 65 LEU N N 62 125.189 124.479 0.710 1
1 803 . 3 1 1 A 66 66 VAL H H 63 9.058 9.224 -0.166 1
1 804 . 3 1 1 A 66 66 VAL HA H 63 4.991 4.987 0.004 1
1 812 . 3 1 1 A 66 66 VAL C C 63 174.699 175.079 -0.380 1
1 813 . 3 1 1 A 66 66 VAL CA C 63 60.795 60.732 0.063 1
1 814 . 3 1 1 A 66 66 VAL CB C 63 34.075 33.142 0.933 1
1 817 . 3 1 1 A 66 66 VAL N N 63 125.140 126.751 -1.611 1
1 818 . 3 1 1 A 67 67 TYR H H 64 9.091 8.833 0.258 1
1 819 . 3 1 1 A 67 67 TYR HA H 64 5.659 5.614 0.045 1
1 826 . 3 1 1 A 67 67 TYR C C 64 170.910 173.038 -2.128 1
1 827 . 3 1 1 A 67 67 TYR CA C 64 54.286 55.054 -0.768 1
1 828 . 3 1 1 A 67 67 TYR CB C 64 41.951 42.004 -0.053 1
1 829 . 3 1 1 A 67 67 TYR N N 64 124.150 123.885 0.265 1
1 830 . 3 1 1 A 68 68 GLN H H 65 9.814 9.354 0.460 1
1 831 . 3 1 1 A 68 68 GLN HA H 65 5.510 5.318 0.192 1
1 838 . 3 1 1 A 68 68 GLN C C 65 175.725 174.626 1.099 1
1 839 . 3 1 1 A 68 68 GLN CA C 65 53.092 54.477 -1.385 1
1 840 . 3 1 1 A 68 68 GLN CB C 65 32.600 31.743 0.857 1
1 842 . 3 1 1 A 68 68 GLN N N 65 123.050 119.136 3.914 1
1 844 . 3 1 1 A 69 69 VAL H H 66 9.198 9.382 -0.184 1
1 845 . 3 1 1 A 69 69 VAL HA H 66 4.369 4.394 -0.025 1
1 853 . 3 1 1 A 69 69 VAL C C 66 175.357 175.162 0.195 1
1 854 . 3 1 1 A 69 69 VAL CA C 66 63.045 62.254 0.791 1
1 855 . 3 1 1 A 69 69 VAL CB C 66 32.669 32.103 0.566 1
1 858 . 3 1 1 A 69 69 VAL N N 66 127.343 123.859 3.484 1
1 859 . 3 1 1 A 70 70 ILE H H 67 9.241 9.273 -0.032 1
1 860 . 3 1 1 A 70 70 ILE HA H 67 4.471 4.388 0.083 1
1 870 . 3 1 1 A 70 70 ILE C C 67 177.081 176.607 0.474 1
1 871 . 3 1 1 A 70 70 ILE CA C 67 59.716 60.812 -1.096 1
1 872 . 3 1 1 A 70 70 ILE CB C 67 37.169 36.967 0.202 1
1 876 . 3 1 1 A 70 70 ILE N N 67 129.254 127.485 1.769 1
1 877 . 3 1 1 A 71 71 ASP H H 68 9.374 8.914 0.460 1
1 878 . 3 1 1 A 71 71 ASP HA H 68 4.574 4.629 -0.055 1
1 881 . 3 1 1 A 71 71 ASP C C 68 179.868 178.341 1.527 1
1 882 . 3 1 1 A 71 71 ASP CA C 68 58.797 56.794 2.003 1
1 883 . 3 1 1 A 71 71 ASP CB C 68 40.544 39.843 0.701 1
1 884 . 3 1 1 A 71 71 ASP N N 68 129.133 128.287 0.846 1
1 885 . 3 1 1 A 72 72 GLU H H 69 9.631 8.274 1.357 1
1 886 . 3 1 1 A 72 72 GLU HA H 69 4.088 4.147 -0.059 1
1 891 . 3 1 1 A 72 72 GLU C C 69 176.865 178.210 -1.345 1
1 892 . 3 1 1 A 72 72 GLU CA C 69 59.670 58.992 0.678 1
1 893 . 3 1 1 A 72 72 GLU CB C 69 29.100 29.576 -0.476 1
1 895 . 3 1 1 A 72 72 GLU N N 69 118.880 120.023 -1.143 1
1 896 . 3 1 1 A 73 73 LYS H H 70 6.582 7.753 -1.171 1
1 897 . 3 1 1 A 73 73 LYS HA H 70 4.474 4.457 0.017 1
1 906 . 3 1 1 A 73 73 LYS C C 70 173.964 175.586 -1.622 1
1 907 . 3 1 1 A 73 73 LYS CA C 70 54.604 56.011 -1.407 1
1 908 . 3 1 1 A 73 73 LYS CB C 70 34.075 32.596 1.479 1
1 912 . 3 1 1 A 73 73 LYS N N 70 114.014 117.565 -3.551 1
1 913 . 3 1 1 A 74 74 VAL H H 71 7.791 7.812 -0.021 1
1 914 . 3 1 1 A 74 74 VAL HA H 71 2.948 3.929 -0.981 1
1 922 . 3 1 1 A 74 74 VAL C C 71 173.381 174.280 -0.899 1
1 923 . 3 1 1 A 74 74 VAL CA C 71 63.045 63.852 -0.807 1
1 924 . 3 1 1 A 74 74 VAL CB C 71 29.013 29.794 -0.781 1
1 927 . 3 1 1 A 74 74 VAL N N 71 119.301 116.250 3.051 1
1 928 . 3 1 1 A 75 75 VAL H H 72 7.736 7.786 -0.050 1
1 929 . 3 1 1 A 75 75 VAL HA H 72 5.159 5.073 0.086 1
1 937 . 3 1 1 A 75 75 VAL C C 72 175.028 173.774 1.254 1
1 938 . 3 1 1 A 75 75 VAL CA C 72 59.839 60.179 -0.340 1
1 939 . 3 1 1 A 75 75 VAL CB C 72 37.732 35.710 2.022 1
1 942 . 3 1 1 A 75 75 VAL N N 72 116.865 120.363 -3.498 1
1 943 . 3 1 1 A 76 76 VAL H H 73 9.006 9.293 -0.287 1
1 944 . 3 1 1 A 76 76 VAL HA H 73 4.190 4.772 -0.582 1
1 952 . 3 1 1 A 76 76 VAL C C 73 172.177 174.675 -2.498 1
1 953 . 3 1 1 A 76 76 VAL CA C 73 62.473 61.203 1.270 1
1 954 . 3 1 1 A 76 76 VAL CB C 73 32.388 32.430 -0.042 1
1 957 . 3 1 1 A 76 76 VAL N N 73 128.675 128.172 0.503 1
1 958 . 3 1 1 A 77 77 PHE H H 74 9.468 9.322 0.146 1
1 959 . 3 1 1 A 77 77 PHE HA H 74 5.019 5.278 -0.259 1
1 966 . 3 1 1 A 77 77 PHE C C 74 174.420 174.192 0.228 1
1 967 . 3 1 1 A 77 77 PHE CA C 74 54.378 55.755 -1.377 1
1 968 . 3 1 1 A 77 77 PHE CB C 74 42.230 40.675 1.555 1
1 969 . 3 1 1 A 77 77 PHE N N 74 130.014 128.305 1.709 1
1 970 . 3 1 1 A 78 78 VAL H H 75 8.990 8.924 0.066 1
1 971 . 3 1 1 A 78 78 VAL HA H 75 3.645 3.972 -0.327 1
1 979 . 3 1 1 A 78 78 VAL C C 75 174.813 175.413 -0.600 1
1 980 . 3 1 1 A 78 78 VAL CA C 75 64.452 63.678 0.774 1
1 981 . 3 1 1 A 78 78 VAL CB C 75 31.009 31.210 -0.201 1
1 984 . 3 1 1 A 78 78 VAL N N 75 128.474 127.108 1.366 1
1 985 . 3 1 1 A 79 79 ILE H H 76 8.679 9.167 -0.488 1
1 986 . 3 1 1 A 79 79 ILE HA H 76 4.171 4.190 -0.019 1
1 996 . 3 1 1 A 79 79 ILE C C 76 176.092 175.880 0.212 1
1 997 . 3 1 1 A 79 79 ILE CA C 76 61.635 62.400 -0.765 1
1 998 . 3 1 1 A 79 79 ILE CB C 76 39.982 38.503 1.479 1
1 1002 . 3 1 1 A 79 79 ILE N N 76 122.334 128.845 -6.511 1
1 1003 . 3 1 1 A 80 80 SER H H 77 7.614 7.822 -0.208 1
1 1004 . 3 1 1 A 80 80 SER HA H 77 4.724 4.987 -0.263 1
1 1007 . 3 1 1 A 80 80 SER C C 77 172.545 172.118 0.427 1
1 1008 . 3 1 1 A 80 80 SER CA C 77 57.849 57.650 0.199 1
1 1009 . 3 1 1 A 80 80 SER CB C 77 64.733 67.081 -2.348 1
1 1010 . 3 1 1 A 80 80 SER N N 77 113.369 114.385 -1.016 1
1 1011 . 3 1 1 A 81 81 VAL H H 78 8.814 8.689 0.125 1
1 1012 . 3 1 1 A 81 81 VAL HA H 78 5.102 5.096 0.006 1
1 1020 . 3 1 1 A 81 81 VAL C C 78 173.761 174.681 -0.920 1
1 1021 . 3 1 1 A 81 81 VAL CA C 78 61.004 59.893 1.111 1
1 1022 . 3 1 1 A 81 81 VAL CB C 78 34.638 35.462 -0.824 1
1 1025 . 3 1 1 A 81 81 VAL N N 78 123.792 121.374 2.418 1
1 1026 . 3 1 1 A 82 82 GLY H H 79 8.628 8.615 0.013 1
1 1027 . 3 1 1 A 82 82 GLY HA2 H 79 4.365 4.241 0.124 1
1 1028 . 3 1 1 A 82 82 GLY HA3 H 79 4.214 4.361 -0.147 1
1 1029 . 3 1 1 A 82 82 GLY C C 79 171.201 171.797 -0.596 1
1 1030 . 3 1 1 A 82 82 GLY CA C 79 45.606 45.926 -0.320 1
1 1031 . 3 1 1 A 82 82 GLY N N 79 111.112 113.271 -2.159 1
1 1032 . 3 1 1 A 83 83 LYS H H 80 8.670 8.727 -0.057 1
1 1033 . 3 1 1 A 83 83 LYS HA H 80 4.205 4.736 -0.531 1
1 1042 . 3 1 1 A 83 83 LYS C C 80 176.080 174.885 1.195 1
1 1043 . 3 1 1 A 83 83 LYS CA C 80 55.451 53.881 1.570 1
1 1044 . 3 1 1 A 83 83 LYS CB C 80 32.665 35.265 -2.600 1
1 1048 . 3 1 1 A 83 83 LYS N N 80 120.943 122.623 -1.680 1
1 1049 . 3 1 1 A 84 84 ALA H H 81 8.049 8.192 -0.143 1
1 1050 . 3 1 1 A 84 84 ALA HA H 81 4.182 4.716 -0.534 1
1 1054 . 3 1 1 A 84 84 ALA C C 81 176.941 177.343 -0.402 1
1 1055 . 3 1 1 A 84 84 ALA CA C 81 52.248 50.582 1.666 1
1 1056 . 3 1 1 A 84 84 ALA CB C 81 19.450 19.308 0.142 1
1 1057 . 3 1 1 A 84 84 ALA N N 81 125.262 123.100 2.162 1
1 1058 . 3 1 1 A 85 85 GLU H H 82 8.460 8.416 0.044 1
1 1059 . 3 1 1 A 85 85 GLU HA H 82 4.230 4.109 0.121 1
1 1064 . 3 1 1 A 85 85 GLU C C 82 176.599 177.006 -0.407 1
1 1065 . 3 1 1 A 85 85 GLU CA C 82 56.446 58.772 -2.326 1
1 1066 . 3 1 1 A 85 85 GLU CB C 82 29.853 28.944 0.909 1
1 1068 . 3 1 1 A 85 85 GLU N N 82 119.296 121.859 -2.563 1
1 1069 . 3 1 1 A 86 86 ALA H H 83 8.403 8.272 0.131 1
1 1070 . 3 1 1 A 86 86 ALA HA H 83 4.149 4.610 -0.461 1
1 1074 . 3 1 1 A 86 86 ALA C C 83 177.777 178.115 -0.338 1
1 1075 . 3 1 1 A 86 86 ALA CA C 83 53.448 53.316 0.132 1
1 1076 . 3 1 1 A 86 86 ALA CB C 83 18.887 20.523 -1.636 1
1 1077 . 3 1 1 A 86 86 ALA N N 83 124.833 120.533 4.300 1
1 1078 . 3 1 1 A 87 87 SER H H 84 8.301 7.958 0.343 1
1 1079 . 3 1 1 A 87 87 SER HA H 84 4.297 4.905 -0.608 1
1 1082 . 3 1 1 A 87 87 SER C C 84 175.370 175.211 0.159 1
1 1083 . 3 1 1 A 87 87 SER N N 84 113.395 111.019 2.376 1
1 1084 . 3 1 1 A 88 88 GLU H H 85 8.271 8.286 -0.015 1
1 1085 . 3 1 1 A 88 88 GLU HA H 85 4.239 3.939 0.300 1
1 1090 . 3 1 1 A 88 88 GLU C C 85 177.081 178.821 -1.740 1
1 1091 . 3 1 1 A 88 88 GLU CA C 85 57.140 59.515 -2.375 1
1 1092 . 3 1 1 A 88 88 GLU CB C 85 29.856 29.660 0.196 1
1 1094 . 3 1 1 A 88 88 GLU N N 85 122.554 123.188 -0.634 1
1 1095 . 3 1 1 A 89 89 VAL H H 86 7.833 7.349 0.484 1
1 1096 . 3 1 1 A 89 89 VAL HA H 86 3.895 4.081 -0.186 1
1 1104 . 3 1 1 A 89 89 VAL C C 86 177.172 177.383 -0.211 1
1 1105 . 3 1 1 A 89 89 VAL CA C 86 63.045 64.394 -1.349 1
1 1106 . 3 1 1 A 89 89 VAL CB C 86 32.107 31.546 0.561 1
1 1109 . 3 1 1 A 89 89 VAL N N 86 119.916 117.551 2.365 1
1 1110 . 3 1 1 A 90 90 TYR H H 87 8.142 7.564 0.578 1
1 1111 . 3 1 1 A 90 90 TYR HA H 87 4.479 4.405 0.074 1
1 1118 . 3 1 1 A 90 90 TYR C C 87 176.637 178.831 -2.194 1
1 1119 . 3 1 1 A 90 90 TYR CA C 87 58.545 60.563 -2.018 1
1 1120 . 3 1 1 A 90 90 TYR CB C 87 37.732 38.960 -1.228 1
1 1121 . 3 1 1 A 90 90 TYR N N 87 122.303 121.705 0.598 1
1 1122 . 3 1 1 A 91 91 SER H H 88 8.090 8.760 -0.670 1
1 1123 . 3 1 1 A 91 91 SER HA H 88 4.335 4.277 0.058 1
1 1126 . 3 1 1 A 91 91 SER C C 88 176.130 176.798 -0.668 1
1 1127 . 3 1 1 A 91 91 SER CA C 88 59.899 61.650 -1.751 1
1 1128 . 3 1 1 A 91 91 SER CB C 88 62.483 62.538 -0.055 1
1 1129 . 3 1 1 A 91 91 SER N N 88 115.828 116.991 -1.163 1
1 1130 . 3 1 1 A 92 92 GLU H H 89 8.234 7.576 0.658 1
1 1131 . 3 1 1 A 92 92 GLU HA H 89 4.213 4.016 0.197 1
1 1136 . 3 1 1 A 92 92 GLU C C 89 177.600 178.454 -0.854 1
1 1137 . 3 1 1 A 92 92 GLU CA C 89 57.701 59.450 -1.749 1
1 1138 . 3 1 1 A 92 92 GLU CB C 89 29.575 29.417 0.158 1
1 1140 . 3 1 1 A 92 92 GLU N N 89 121.225 122.633 -1.408 1
1 1141 . 3 1 1 A 93 93 ALA H H 90 7.960 7.650 0.310 1
1 1142 . 3 1 1 A 93 93 ALA HA H 90 4.025 4.099 -0.074 1
1 1146 . 3 1 1 A 93 93 ALA C C 90 178.550 179.570 -1.020 1
1 1147 . 3 1 1 A 93 93 ALA CA C 90 54.225 55.076 -0.851 1
1 1148 . 3 1 1 A 93 93 ALA CB C 90 18.325 18.670 -0.345 1
1 1149 . 3 1 1 A 93 93 ALA N N 90 122.055 122.521 -0.466 1
1 1150 . 3 1 1 A 94 94 VAL H H 91 7.799 8.133 -0.334 1
1 1151 . 3 1 1 A 94 94 VAL HA H 91 3.818 3.805 0.013 1
1 1159 . 3 1 1 A 94 94 VAL CA C 91 64.167 65.411 -1.244 1
1 1160 . 3 1 1 A 94 94 VAL CB C 91 31.825 31.026 0.799 1
1 1163 . 3 1 1 A 94 94 VAL N N 91 115.727 117.237 -1.510 1
1 1164 . 3 1 1 A 95 95 LYS H H 92 7.764 7.870 -0.106 1
1 1165 . 3 1 1 A 95 95 LYS HA H 92 4.197 4.230 -0.033 1
1 1174 . 3 1 1 A 95 95 LYS C C 92 177.600 178.127 -0.527 1
1 1175 . 3 1 1 A 95 95 LYS CA C 92 57.139 58.924 -1.785 1
1 1176 . 3 1 1 A 95 95 LYS CB C 92 32.600 32.384 0.216 1
1 1180 . 3 1 1 A 95 95 LYS N N 92 120.823 122.112 -1.289 1
1 1181 . 3 1 1 A 96 96 ARG H H 93 7.970 8.005 -0.035 1
1 1182 . 3 1 1 A 96 96 ARG HA H 93 4.341 4.176 0.165 1
1 1189 . 3 1 1 A 96 96 ARG C C 93 179.703 178.948 0.755 1
1 1190 . 3 1 1 A 96 96 ARG CA C 93 56.295 58.580 -2.285 1
1 1191 . 3 1 1 A 96 96 ARG CB C 93 31.400 30.119 1.281 1
1 1194 . 3 1 1 A 96 96 ARG N N 93 119.070 120.512 -1.442 1
1 1195 . 3 1 1 A 97 97 ILE H H 94 8.012 7.847 0.165 1
1 1196 . 3 1 1 A 97 97 ILE HA H 94 4.216 3.989 0.227 1
1 1206 . 3 1 1 A 97 97 ILE C C 94 175.509 176.711 -1.202 1
1 1207 . 3 1 1 A 97 97 ILE CA C 94 61.362 64.660 -3.298 1
1 1208 . 3 1 1 A 97 97 ILE CB C 94 38.576 38.843 -0.267 1
1 1212 . 3 1 1 A 97 97 ILE N N 94 120.512 120.100 0.412 1
1 16 . 4 1 1 A 5 5 ALA H H 2 8.084 8.551 -0.467 1
1 17 . 4 1 1 A 5 5 ALA HA H 2 4.423 5.290 -0.867 1
1 21 . 4 1 1 A 5 5 ALA C C 2 176.536 176.991 -0.455 1
1 22 . 4 1 1 A 5 5 ALA CA C 2 51.634 50.831 0.803 1
1 23 . 4 1 1 A 5 5 ALA CB C 2 19.439 20.237 -0.798 1
1 24 . 4 1 1 A 5 5 ALA N N 2 125.284 126.159 -0.875 1
1 25 . 4 1 1 A 6 6 TYR H H 3 8.406 9.119 -0.713 1
1 26 . 4 1 1 A 6 6 TYR HA H 3 4.312 4.640 -0.328 1
1 33 . 4 1 1 A 6 6 TYR C C 3 175.433 175.286 0.147 1
1 34 . 4 1 1 A 6 6 TYR CA C 3 57.701 57.434 0.267 1
1 35 . 4 1 1 A 6 6 TYR CB C 3 39.701 40.662 -0.961 1
1 36 . 4 1 1 A 6 6 TYR N N 3 120.887 121.067 -0.180 1
1 37 . 4 1 1 A 7 7 PHE H H 4 8.703 9.090 -0.387 1
1 38 . 4 1 1 A 7 7 PHE HA H 4 4.645 4.957 -0.312 1
1 45 . 4 1 1 A 7 7 PHE C C 4 173.812 174.648 -0.836 1
1 46 . 4 1 1 A 7 7 PHE CA C 4 56.853 57.730 -0.877 1
1 47 . 4 1 1 A 7 7 PHE CB C 4 40.541 41.110 -0.569 1
1 48 . 4 1 1 A 7 7 PHE N N 4 119.295 120.012 -0.717 1
1 49 . 4 1 1 A 8 8 LEU H H 5 8.255 8.704 -0.449 1
1 50 . 4 1 1 A 8 8 LEU HA H 5 4.985 5.067 -0.082 1
1 60 . 4 1 1 A 8 8 LEU C C 5 174.927 173.875 1.052 1
1 61 . 4 1 1 A 8 8 LEU CA C 5 53.544 53.482 0.062 1
1 62 . 4 1 1 A 8 8 LEU CB C 5 44.201 45.491 -1.290 1
1 66 . 4 1 1 A 8 8 LEU N N 5 124.516 122.805 1.711 1
1 67 . 4 1 1 A 9 9 ASP H H 6 9.047 9.037 0.010 1
1 68 . 4 1 1 A 9 9 ASP HA H 6 5.089 5.328 -0.239 1
1 71 . 4 1 1 A 9 9 ASP C C 6 173.216 173.965 -0.749 1
1 72 . 4 1 1 A 9 9 ASP CA C 6 52.278 52.695 -0.417 1
1 73 . 4 1 1 A 9 9 ASP CB C 6 45.326 44.976 0.350 1
1 74 . 4 1 1 A 9 9 ASP N N 6 126.171 126.022 0.149 1
1 75 . 4 1 1 A 10 10 PHE H H 7 8.891 8.957 -0.066 1
1 76 . 4 1 1 A 10 10 PHE HA H 7 4.545 4.664 -0.119 1
1 83 . 4 1 1 A 10 10 PHE C C 7 175.218 174.455 0.763 1
1 84 . 4 1 1 A 10 10 PHE CA C 7 56.243 56.361 -0.118 1
1 85 . 4 1 1 A 10 10 PHE CB C 7 43.638 42.083 1.555 1
1 86 . 4 1 1 A 10 10 PHE N N 7 119.178 121.182 -2.004 1
1 87 . 4 1 1 A 11 11 ASP H H 8 8.124 8.241 -0.117 1
1 88 . 4 1 1 A 11 11 ASP HA H 8 4.551 4.604 -0.053 1
1 91 . 4 1 1 A 11 11 ASP C C 8 177.157 177.359 -0.202 1
1 92 . 4 1 1 A 11 11 ASP CA C 8 54.315 54.193 0.122 1
1 93 . 4 1 1 A 11 11 ASP CB C 8 44.201 42.612 1.589 1
1 94 . 4 1 1 A 11 11 ASP N N 8 123.305 123.740 -0.435 1
1 95 . 4 1 1 A 12 12 GLU H H 9 9.197 8.979 0.218 1
1 96 . 4 1 1 A 12 12 GLU HA H 9 4.016 4.087 -0.071 1
1 101 . 4 1 1 A 12 12 GLU C C 9 178.880 178.827 0.053 1
1 102 . 4 1 1 A 12 12 GLU CA C 9 60.365 59.189 1.176 1
1 103 . 4 1 1 A 12 12 GLU CB C 9 29.670 29.180 0.490 1
1 105 . 4 1 1 A 12 12 GLU N N 9 127.082 123.015 4.067 1
1 106 . 4 1 1 A 13 13 ARG H H 10 8.949 8.217 0.732 1
1 107 . 4 1 1 A 13 13 ARG HA H 10 4.097 4.080 0.017 1
1 114 . 4 1 1 A 13 13 ARG C C 10 179.273 178.425 0.848 1
1 115 . 4 1 1 A 13 13 ARG CA C 10 58.924 59.198 -0.274 1
1 116 . 4 1 1 A 13 13 ARG CB C 10 30.138 30.035 0.103 1
1 119 . 4 1 1 A 13 13 ARG N N 10 119.265 119.732 -0.467 1
1 120 . 4 1 1 A 14 14 ALA H H 11 7.451 7.680 -0.229 1
1 121 . 4 1 1 A 14 14 ALA HA H 11 4.685 4.136 0.549 1
1 125 . 4 1 1 A 14 14 ALA C C 11 179.564 180.152 -0.588 1
1 126 . 4 1 1 A 14 14 ALA CA C 11 53.705 55.069 -1.364 1
1 127 . 4 1 1 A 14 14 ALA CB C 11 18.325 18.098 0.227 1
1 128 . 4 1 1 A 14 14 ALA N N 11 122.421 122.048 0.373 1
1 129 . 4 1 1 A 15 15 LEU H H 12 8.683 8.120 0.563 1
1 130 . 4 1 1 A 15 15 LEU HA H 12 3.877 3.783 0.094 1
1 140 . 4 1 1 A 15 15 LEU C C 12 178.550 179.444 -0.894 1
1 141 . 4 1 1 A 15 15 LEU CA C 12 57.139 57.642 -0.503 1
1 142 . 4 1 1 A 15 15 LEU CB C 12 41.103 40.846 0.257 1
1 146 . 4 1 1 A 15 15 LEU N N 12 120.118 118.769 1.349 1
1 147 . 4 1 1 A 16 16 LYS H H 13 7.345 8.143 -0.798 1
1 148 . 4 1 1 A 16 16 LYS HA H 13 3.995 3.905 0.090 1
1 157 . 4 1 1 A 16 16 LYS C C 13 179.678 179.799 -0.121 1
1 158 . 4 1 1 A 16 16 LYS CA C 13 59.700 60.456 -0.756 1
1 159 . 4 1 1 A 16 16 LYS CB C 13 32.388 32.072 0.316 1
1 163 . 4 1 1 A 16 16 LYS N N 13 117.725 118.049 -0.324 1
1 164 . 4 1 1 A 17 17 GLU H H 14 7.453 7.818 -0.365 1
1 165 . 4 1 1 A 17 17 GLU HA H 14 4.016 4.098 -0.082 1
1 170 . 4 1 1 A 17 17 GLU C C 14 179.589 179.030 0.559 1
1 171 . 4 1 1 A 17 17 GLU CA C 14 58.841 59.095 -0.254 1
1 172 . 4 1 1 A 17 17 GLU CB C 14 29.298 29.455 -0.157 1
1 174 . 4 1 1 A 17 17 GLU N N 14 118.019 119.632 -1.613 1
1 175 . 4 1 1 A 18 18 TRP H H 15 9.081 8.644 0.437 1
1 176 . 4 1 1 A 18 18 TRP HA H 15 4.174 4.172 0.002 1
1 183 . 4 1 1 A 18 18 TRP C C 15 178.360 178.224 0.136 1
1 184 . 4 1 1 A 18 18 TRP CA C 15 59.938 61.066 -1.128 1
1 185 . 4 1 1 A 18 18 TRP CB C 15 30.241 29.539 0.702 1
1 186 . 4 1 1 A 18 18 TRP N N 15 122.628 121.751 0.877 1
1 188 . 4 1 1 A 19 19 ARG H H 16 8.197 8.136 0.061 1
1 189 . 4 1 1 A 19 19 ARG HA H 16 3.863 4.159 -0.296 1
1 196 . 4 1 1 A 19 19 ARG C C 16 177.030 179.150 -2.120 1
1 197 . 4 1 1 A 19 19 ARG CA C 16 58.516 58.769 -0.253 1
1 198 . 4 1 1 A 19 19 ARG CB C 16 30.300 29.810 0.490 1
1 201 . 4 1 1 A 19 19 ARG N N 16 115.582 118.543 -2.961 1
1 202 . 4 1 1 A 20 20 LYS H H 17 7.308 7.496 -0.188 1
1 203 . 4 1 1 A 20 20 LYS HA H 17 4.238 4.103 0.135 1
1 212 . 4 1 1 A 20 20 LYS C C 17 177.043 176.973 0.070 1
1 213 . 4 1 1 A 20 20 LYS CA C 17 56.270 58.572 -2.302 1
1 214 . 4 1 1 A 20 20 LYS CB C 17 32.300 32.017 0.283 1
1 218 . 4 1 1 A 20 20 LYS N N 17 116.689 119.529 -2.840 1
1 219 . 4 1 1 A 21 21 LEU H H 18 6.998 7.091 -0.093 1
1 220 . 4 1 1 A 21 21 LEU HA H 18 4.026 4.188 -0.162 1
1 230 . 4 1 1 A 21 21 LEU C C 18 177.676 177.300 0.376 1
1 231 . 4 1 1 A 21 21 LEU CA C 18 54.567 54.434 0.133 1
1 232 . 4 1 1 A 21 21 LEU CB C 18 43.357 41.694 1.663 1
1 236 . 4 1 1 A 21 21 LEU N N 18 118.778 121.290 -2.512 1
1 237 . 4 1 1 A 22 22 GLY H H 19 8.370 8.258 0.112 1
1 238 . 4 1 1 A 22 22 GLY HA2 H 19 4.064 3.946 0.118 1
1 239 . 4 1 1 A 22 22 GLY HA3 H 19 3.845 3.965 -0.120 1
1 240 . 4 1 1 A 22 22 GLY C C 19 174.813 174.664 0.149 1
1 241 . 4 1 1 A 22 22 GLY CA C 19 45.045 44.867 0.178 1
1 242 . 4 1 1 A 22 22 GLY N N 19 107.490 108.668 -1.178 1
1 243 . 4 1 1 A 23 23 SER H H 20 8.675 8.894 -0.219 1
1 244 . 4 1 1 A 23 23 SER HA H 20 4.288 4.023 0.265 1
1 247 . 4 1 1 A 23 23 SER CA C 20 58.981 61.804 -2.823 1
1 248 . 4 1 1 A 23 23 SER CB C 20 63.045 62.340 0.705 1
1 249 . 4 1 1 A 23 23 SER N N 20 117.877 116.527 1.350 1
1 250 . 4 1 1 A 24 24 THR H H 21 8.216 7.880 0.336 1
1 251 . 4 1 1 A 24 24 THR HA H 21 3.983 3.895 0.088 1
1 256 . 4 1 1 A 24 24 THR C C 21 176.510 176.552 -0.042 1
1 257 . 4 1 1 A 24 24 THR CA C 21 65.858 66.298 -0.440 1
1 258 . 4 1 1 A 24 24 THR CB C 21 67.941 67.872 0.069 1
1 260 . 4 1 1 A 24 24 THR N N 21 115.680 117.136 -1.456 1
1 261 . 4 1 1 A 25 25 VAL H H 22 7.143 8.015 -0.872 1
1 262 . 4 1 1 A 25 25 VAL HA H 22 3.545 3.388 0.157 1
1 270 . 4 1 1 A 25 25 VAL C C 22 177.613 177.690 -0.077 1
1 271 . 4 1 1 A 25 25 VAL CA C 22 65.577 66.791 -1.214 1
1 272 . 4 1 1 A 25 25 VAL CB C 22 31.544 31.041 0.503 1
1 275 . 4 1 1 A 25 25 VAL N N 22 122.443 121.758 0.685 1
1 276 . 4 1 1 A 26 26 ARG H H 23 7.840 8.335 -0.495 1
1 277 . 4 1 1 A 26 26 ARG HA H 23 3.156 3.400 -0.244 1
1 284 . 4 1 1 A 26 26 ARG C C 23 177.790 178.139 -0.349 1
1 285 . 4 1 1 A 26 26 ARG CA C 23 59.951 58.318 1.633 1
1 286 . 4 1 1 A 26 26 ARG CB C 23 29.590 29.252 0.338 1
1 289 . 4 1 1 A 26 26 ARG N N 23 119.146 119.692 -0.546 1
1 290 . 4 1 1 A 27 27 GLU H H 24 8.159 7.904 0.255 1
1 291 . 4 1 1 A 27 27 GLU HA H 24 3.970 4.151 -0.181 1
1 296 . 4 1 1 A 27 27 GLU C C 24 179.577 179.171 0.406 1
1 297 . 4 1 1 A 27 27 GLU CA C 24 59.400 59.175 0.225 1
1 298 . 4 1 1 A 27 27 GLU CB C 24 29.013 29.314 -0.301 1
1 300 . 4 1 1 A 27 27 GLU N N 24 116.672 118.953 -2.281 1
1 301 . 4 1 1 A 28 28 GLN H H 25 7.693 8.231 -0.538 1
1 302 . 4 1 1 A 28 28 GLN HA H 25 4.094 3.984 0.110 1
1 309 . 4 1 1 A 28 28 GLN C C 25 179.919 179.163 0.756 1
1 310 . 4 1 1 A 28 28 GLN CA C 25 59.108 58.837 0.271 1
1 311 . 4 1 1 A 28 28 GLN CB C 25 29.575 28.108 1.467 1
1 313 . 4 1 1 A 28 28 GLN N N 25 118.482 119.514 -1.032 1
1 315 . 4 1 1 A 29 29 LEU H H 26 8.441 7.984 0.457 1
1 316 . 4 1 1 A 29 29 LEU HA H 26 4.096 4.141 -0.045 1
1 326 . 4 1 1 A 29 29 LEU C C 26 178.804 179.378 -0.574 1
1 327 . 4 1 1 A 29 29 LEU CA C 26 57.983 58.000 -0.017 1
1 328 . 4 1 1 A 29 29 LEU CB C 26 42.513 41.514 0.999 1
1 332 . 4 1 1 A 29 29 LEU N N 26 119.907 119.953 -0.046 1
1 333 . 4 1 1 A 30 30 LYS H H 27 9.233 8.736 0.497 1
1 334 . 4 1 1 A 30 30 LYS HA H 27 4.076 4.224 -0.148 1
1 343 . 4 1 1 A 30 30 LYS C C 27 178.056 178.588 -0.532 1
1 344 . 4 1 1 A 30 30 LYS CA C 27 60.233 59.835 0.398 1
1 345 . 4 1 1 A 30 30 LYS CB C 27 32.103 32.543 -0.440 1
1 349 . 4 1 1 A 30 30 LYS N N 27 120.508 120.531 -0.023 1
1 350 . 4 1 1 A 31 31 LYS H H 28 7.698 8.051 -0.353 1
1 351 . 4 1 1 A 31 31 LYS HA H 28 4.056 4.102 -0.046 1
1 360 . 4 1 1 A 31 31 LYS C C 28 179.539 179.624 -0.085 1
1 361 . 4 1 1 A 31 31 LYS CA C 28 59.596 59.820 -0.224 1
1 362 . 4 1 1 A 31 31 LYS CB C 28 32.400 32.131 0.269 1
1 366 . 4 1 1 A 31 31 LYS N N 28 117.412 117.959 -0.547 1
1 367 . 4 1 1 A 32 32 LYS H H 29 7.347 7.449 -0.102 1
1 368 . 4 1 1 A 32 32 LYS HA H 29 4.230 4.030 0.200 1
1 377 . 4 1 1 A 32 32 LYS C C 29 179.057 179.388 -0.331 1
1 378 . 4 1 1 A 32 32 LYS CA C 29 57.553 59.488 -1.935 1
1 379 . 4 1 1 A 32 32 LYS CB C 29 32.103 32.440 -0.337 1
1 383 . 4 1 1 A 32 32 LYS N N 29 116.983 120.409 -3.426 1
1 384 . 4 1 1 A 33 33 LEU H H 30 8.663 8.372 0.291 1
1 385 . 4 1 1 A 33 33 LEU HA H 30 3.844 4.005 -0.161 1
1 395 . 4 1 1 A 33 33 LEU C C 30 177.765 179.013 -1.248 1
1 396 . 4 1 1 A 33 33 LEU CA C 30 57.420 58.114 -0.694 1
1 397 . 4 1 1 A 33 33 LEU CB C 30 42.513 42.057 0.456 1
1 401 . 4 1 1 A 33 33 LEU N N 30 121.134 120.710 0.424 1
1 402 . 4 1 1 A 34 34 VAL H H 31 8.185 8.604 -0.419 1
1 403 . 4 1 1 A 34 34 VAL HA H 31 3.548 3.724 -0.176 1
1 411 . 4 1 1 A 34 34 VAL C C 31 178.639 177.530 1.109 1
1 412 . 4 1 1 A 34 34 VAL CA C 31 66.702 65.614 1.088 1
1 413 . 4 1 1 A 34 34 VAL CB C 31 31.544 31.205 0.339 1
1 416 . 4 1 1 A 34 34 VAL N N 31 117.076 119.243 -2.167 1
1 417 . 4 1 1 A 35 35 GLU H H 32 7.143 8.114 -0.971 1
1 418 . 4 1 1 A 35 35 GLU HA H 32 4.093 4.067 0.026 1
1 423 . 4 1 1 A 35 35 GLU C C 32 179.450 178.768 0.682 1
1 424 . 4 1 1 A 35 35 GLU CA C 32 58.264 59.122 -0.858 1
1 425 . 4 1 1 A 35 35 GLU CB C 32 29.575 29.187 0.388 1
1 427 . 4 1 1 A 35 35 GLU N N 32 117.290 119.960 -2.670 1
1 428 . 4 1 1 A 36 36 VAL H H 33 7.659 8.428 -0.769 1
1 429 . 4 1 1 A 36 36 VAL HA H 33 3.774 3.820 -0.046 1
1 437 . 4 1 1 A 36 36 VAL C C 33 176.929 177.637 -0.708 1
1 438 . 4 1 1 A 36 36 VAL CA C 33 63.889 65.022 -1.133 1
1 439 . 4 1 1 A 36 36 VAL CB C 33 31.825 31.123 0.702 1
1 442 . 4 1 1 A 36 36 VAL N N 33 118.056 119.797 -1.741 1
1 443 . 4 1 1 A 37 37 LEU H H 34 7.679 7.962 -0.283 1
1 444 . 4 1 1 A 37 37 LEU HA H 34 3.619 3.871 -0.252 1
1 454 . 4 1 1 A 37 37 LEU C C 34 177.968 179.619 -1.651 1
1 455 . 4 1 1 A 37 37 LEU CA C 34 57.420 57.230 0.190 1
1 456 . 4 1 1 A 37 37 LEU CB C 34 40.263 41.221 -0.958 1
1 460 . 4 1 1 A 37 37 LEU N N 34 116.847 121.011 -4.164 1
1 461 . 4 1 1 A 38 38 GLU H H 35 7.238 8.706 -1.468 1
1 462 . 4 1 1 A 38 38 GLU HA H 35 4.295 4.190 0.105 1
1 467 . 4 1 1 A 38 38 GLU C C 35 177.853 176.575 1.278 1
1 468 . 4 1 1 A 38 38 GLU CA C 35 57.900 58.290 -0.390 1
1 469 . 4 1 1 A 38 38 GLU CB C 35 30.138 28.704 1.434 1
1 471 . 4 1 1 A 38 38 GLU N N 35 113.881 117.208 -3.327 1
1 472 . 4 1 1 A 39 39 SER H H 36 7.101 7.842 -0.741 1
1 473 . 4 1 1 A 39 39 SER HA H 36 4.518 4.745 -0.227 1
1 476 . 4 1 1 A 39 39 SER CA C 36 55.553 55.513 0.040 1
1 477 . 4 1 1 A 39 39 SER CB C 36 61.920 62.730 -0.810 1
1 478 . 4 1 1 A 39 39 SER N N 36 109.128 113.876 -4.748 1
1 479 . 4 1 1 A 40 40 PRO HA H 37 4.363 4.255 0.108 1
1 486 . 4 1 1 A 40 40 PRO C C 37 177.879 176.775 1.104 1
1 487 . 4 1 1 A 40 40 PRO CA C 37 64.705 63.437 1.268 1
1 488 . 4 1 1 A 40 40 PRO CB C 37 32.669 31.593 1.076 1
1 491 . 4 1 1 A 41 41 ARG H H 38 8.299 8.159 0.140 1
1 492 . 4 1 1 A 41 41 ARG HA H 38 3.183 4.382 -1.199 1
1 499 . 4 1 1 A 41 41 ARG C C 38 174.217 176.096 -1.879 1
1 500 . 4 1 1 A 41 41 ARG CA C 38 56.014 56.138 -0.124 1
1 501 . 4 1 1 A 41 41 ARG CB C 38 29.571 29.883 -0.312 1
1 504 . 4 1 1 A 41 41 ARG N N 38 121.121 115.409 5.712 1
1 505 . 4 1 1 A 42 42 ILE H H 39 5.995 7.500 -1.505 1
1 506 . 4 1 1 A 42 42 ILE HA H 39 4.177 4.414 -0.237 1
1 516 . 4 1 1 A 42 42 ILE C C 39 176.295 177.354 -1.059 1
1 517 . 4 1 1 A 42 42 ILE CA C 39 59.389 61.405 -2.016 1
1 518 . 4 1 1 A 42 42 ILE CB C 39 39.138 36.636 2.502 1
1 522 . 4 1 1 A 42 42 ILE N N 39 128.247 122.757 5.490 1
1 523 . 4 1 1 A 43 43 GLU H H 40 8.893 8.550 0.343 1
1 524 . 4 1 1 A 43 43 GLU HA H 40 4.174 4.128 0.046 1
1 529 . 4 1 1 A 43 43 GLU C C 40 178.918 178.167 0.751 1
1 530 . 4 1 1 A 43 43 GLU CA C 40 60.336 58.917 1.419 1
1 531 . 4 1 1 A 43 43 GLU CB C 40 29.100 29.017 0.083 1
1 533 . 4 1 1 A 43 43 GLU N N 40 130.055 127.121 2.934 1
1 534 . 4 1 1 A 44 44 ALA H H 41 8.851 7.878 0.973 1
1 535 . 4 1 1 A 44 44 ALA HA H 41 4.222 4.135 0.087 1
1 539 . 4 1 1 A 44 44 ALA C C 41 178.069 178.198 -0.129 1
1 540 . 4 1 1 A 44 44 ALA CA C 41 54.148 54.143 0.005 1
1 541 . 4 1 1 A 44 44 ALA CB C 41 18.606 18.300 0.306 1
1 542 . 4 1 1 A 44 44 ALA N N 41 119.773 122.809 -3.036 1
1 543 . 4 1 1 A 45 45 ASN H H 42 8.176 8.158 0.018 1
1 544 . 4 1 1 A 45 45 ASN HA H 42 5.046 4.809 0.237 1
1 549 . 4 1 1 A 45 45 ASN C C 42 174.521 175.379 -0.858 1
1 550 . 4 1 1 A 45 45 ASN CA C 42 51.495 53.182 -1.687 1
1 551 . 4 1 1 A 45 45 ASN CB C 42 38.853 39.480 -0.627 1
1 552 . 4 1 1 A 45 45 ASN N N 42 114.425 114.590 -0.165 1
1 554 . 4 1 1 A 46 46 LYS H H 43 7.524 7.484 0.040 1
1 555 . 4 1 1 A 46 46 LYS HA H 43 3.769 3.832 -0.063 1
1 564 . 4 1 1 A 46 46 LYS C C 43 176.143 176.214 -0.071 1
1 565 . 4 1 1 A 46 46 LYS CA C 43 56.858 55.872 0.986 1
1 566 . 4 1 1 A 46 46 LYS CB C 43 33.232 32.876 0.356 1
1 570 . 4 1 1 A 46 46 LYS N N 43 122.393 122.120 0.273 1
1 571 . 4 1 1 A 47 47 LEU H H 44 7.982 8.796 -0.814 1
1 572 . 4 1 1 A 47 47 LEU HA H 44 4.374 4.328 0.046 1
1 582 . 4 1 1 A 47 47 LEU C C 44 176.143 176.526 -0.383 1
1 583 . 4 1 1 A 47 47 LEU CA C 44 53.746 54.161 -0.415 1
1 584 . 4 1 1 A 47 47 LEU CB C 44 41.951 42.205 -0.254 1
1 588 . 4 1 1 A 47 47 LEU N N 44 127.624 125.949 1.675 1
1 589 . 4 1 1 A 48 48 ARG H H 45 8.549 8.600 -0.051 1
1 590 . 4 1 1 A 48 48 ARG HA H 45 4.346 4.403 -0.057 1
1 597 . 4 1 1 A 48 48 ARG CA C 45 55.800 56.347 -0.547 1
1 598 . 4 1 1 A 48 48 ARG CB C 45 31.263 30.360 0.903 1
1 601 . 4 1 1 A 48 48 ARG N N 45 125.873 122.808 3.065 1
1 602 . 4 1 1 A 49 49 GLY H H 46 8.800 8.708 0.092 1
1 603 . 4 1 1 A 49 49 GLY HA2 H 46 3.760 3.892 -0.132 1
1 604 . 4 1 1 A 49 49 GLY HA3 H 46 4.070 3.904 0.166 1
1 605 . 4 1 1 A 49 49 GLY C C 46 173.482 173.618 -0.136 1
1 606 . 4 1 1 A 49 49 GLY CA C 46 45.326 45.553 -0.227 1
1 607 . 4 1 1 A 49 49 GLY N N 46 111.980 112.240 -0.260 1
1 608 . 4 1 1 A 50 50 MET H H 47 7.272 7.811 -0.539 1
1 609 . 4 1 1 A 50 50 MET HA H 47 4.921 4.838 0.083 1
1 617 . 4 1 1 A 50 50 MET CA C 47 52.049 52.836 -0.787 1
1 618 . 4 1 1 A 50 50 MET CB C 47 33.794 35.364 -1.570 1
1 621 . 4 1 1 A 50 50 MET N N 47 119.077 120.319 -1.242 1
1 622 . 4 1 1 A 51 51 PRO HA H 48 4.294 4.395 -0.101 1
1 629 . 4 1 1 A 51 51 PRO C C 48 176.460 176.883 -0.423 1
1 630 . 4 1 1 A 51 51 PRO CA C 48 63.879 63.078 0.801 1
1 631 . 4 1 1 A 51 51 PRO CB C 48 31.825 30.871 0.954 1
1 634 . 4 1 1 A 52 52 ASP H H 49 8.661 8.615 0.046 1
1 635 . 4 1 1 A 52 52 ASP HA H 49 4.487 4.037 0.450 1
1 638 . 4 1 1 A 52 52 ASP C C 49 174.065 174.934 -0.869 1
1 639 . 4 1 1 A 52 52 ASP CA C 49 56.042 54.912 1.130 1
1 640 . 4 1 1 A 52 52 ASP CB C 49 41.107 39.753 1.354 1
1 641 . 4 1 1 A 52 52 ASP N N 49 116.477 116.988 -0.511 1
1 642 . 4 1 1 A 53 53 CYS H H 50 7.575 7.856 -0.281 1
1 643 . 4 1 1 A 53 53 CYS HA H 50 5.835 5.354 0.481 1
1 646 . 4 1 1 A 53 53 CYS C C 50 173.444 173.281 0.163 1
1 647 . 4 1 1 A 53 53 CYS CA C 50 58.110 58.014 0.096 1
1 648 . 4 1 1 A 53 53 CYS CB C 50 30.700 29.884 0.816 1
1 649 . 4 1 1 A 53 53 CYS N N 50 114.414 117.619 -3.205 1
1 650 . 4 1 1 A 54 54 TYR H H 51 8.806 9.401 -0.595 1
1 651 . 4 1 1 A 54 54 TYR HA H 51 4.737 5.246 -0.509 1
1 658 . 4 1 1 A 54 54 TYR C C 51 172.950 173.990 -1.040 1
1 659 . 4 1 1 A 54 54 TYR CA C 51 56.066 56.101 -0.035 1
1 660 . 4 1 1 A 54 54 TYR CB C 51 42.794 43.248 -0.454 1
1 661 . 4 1 1 A 54 54 TYR N N 51 120.858 120.737 0.121 1
1 662 . 4 1 1 A 55 55 LYS H H 52 8.425 9.162 -0.737 1
1 663 . 4 1 1 A 55 55 LYS HA H 52 5.687 5.416 0.271 1
1 672 . 4 1 1 A 55 55 LYS C C 52 176.498 174.939 1.559 1
1 673 . 4 1 1 A 55 55 LYS CA C 52 53.291 54.320 -1.029 1
1 674 . 4 1 1 A 55 55 LYS CB C 52 36.325 36.146 0.179 1
1 678 . 4 1 1 A 55 55 LYS N N 52 115.794 118.368 -2.574 1
1 679 . 4 1 1 A 56 56 ILE H H 53 9.187 9.203 -0.016 1
1 680 . 4 1 1 A 56 56 ILE HA H 53 4.416 5.042 -0.626 1
1 690 . 4 1 1 A 56 56 ILE C C 53 174.572 175.539 -0.967 1
1 691 . 4 1 1 A 56 56 ILE CA C 53 60.971 59.449 1.522 1
1 692 . 4 1 1 A 56 56 ILE CB C 53 41.388 41.014 0.374 1
1 696 . 4 1 1 A 56 56 ILE N N 53 120.315 123.424 -3.109 1
1 697 . 4 1 1 A 57 57 LYS H H 54 8.755 9.062 -0.307 1
1 698 . 4 1 1 A 57 57 LYS HA H 54 5.043 5.156 -0.113 1
1 707 . 4 1 1 A 57 57 LYS C C 54 175.193 175.011 0.182 1
1 708 . 4 1 1 A 57 57 LYS CA C 54 54.359 54.574 -0.215 1
1 709 . 4 1 1 A 57 57 LYS CB C 54 35.482 36.044 -0.562 1
1 713 . 4 1 1 A 57 57 LYS N N 54 125.616 124.246 1.370 1
1 714 . 4 1 1 A 58 58 LEU H H 55 8.449 9.184 -0.735 1
1 715 . 4 1 1 A 58 58 LEU HA H 55 4.796 4.511 0.285 1
1 725 . 4 1 1 A 58 58 LEU CA C 55 53.201 55.157 -1.956 1
1 726 . 4 1 1 A 58 58 LEU CB C 55 41.669 43.258 -1.589 1
1 730 . 4 1 1 A 58 58 LEU N N 55 124.214 125.787 -1.573 1
1 731 . 4 1 1 A 59 59 ARG HA H 56 4.008 3.960 0.048 1
1 738 . 4 1 1 A 59 59 ARG CA C 56 57.420 59.769 -2.349 1
1 739 . 4 1 1 A 59 59 ARG CB C 56 29.575 30.529 -0.954 1
1 742 . 4 1 1 A 60 60 SER HA H 57 4.246 4.255 -0.009 1
1 745 . 4 1 1 A 60 60 SER CA C 57 59.798 61.716 -1.918 1
1 746 . 4 1 1 A 60 60 SER CB C 57 63.045 63.521 -0.476 1
1 747 . 4 1 1 A 61 61 SER HA H 58 4.616 4.746 -0.130 1
1 750 . 4 1 1 A 61 61 SER C C 58 175.155 174.048 1.107 1
1 751 . 4 1 1 A 61 61 SER CA C 58 58.010 56.581 1.429 1
1 752 . 4 1 1 A 61 61 SER CB C 58 64.452 64.400 0.052 1
1 753 . 4 1 1 A 62 62 GLY H H 59 8.217 8.728 -0.511 1
1 754 . 4 1 1 A 62 62 GLY HA2 H 59 3.926 3.780 0.146 1
1 755 . 4 1 1 A 62 62 GLY HA3 H 59 4.010 3.846 0.164 1
1 756 . 4 1 1 A 62 62 GLY C C 59 174.407 173.032 1.375 1
1 757 . 4 1 1 A 62 62 GLY CA C 59 45.888 47.200 -1.312 1
1 758 . 4 1 1 A 62 62 GLY N N 59 109.272 110.497 -1.225 1
1 759 . 4 1 1 A 63 63 TYR H H 60 7.463 9.267 -1.804 1
1 760 . 4 1 1 A 63 63 TYR HA H 60 4.629 5.060 -0.431 1
1 767 . 4 1 1 A 63 63 TYR C C 60 175.117 175.319 -0.202 1
1 768 . 4 1 1 A 63 63 TYR CA C 60 59.857 57.281 2.576 1
1 769 . 4 1 1 A 63 63 TYR CB C 60 41.388 41.465 -0.077 1
1 770 . 4 1 1 A 63 63 TYR N N 60 117.638 123.822 -6.184 1
1 771 . 4 1 1 A 64 64 ARG H H 61 9.261 9.238 0.023 1
1 772 . 4 1 1 A 64 64 ARG HA H 61 5.458 5.444 0.014 1
1 779 . 4 1 1 A 64 64 ARG C C 61 173.596 174.728 -1.132 1
1 780 . 4 1 1 A 64 64 ARG CA C 61 53.880 54.364 -0.484 1
1 781 . 4 1 1 A 64 64 ARG CB C 61 34.357 33.963 0.394 1
1 784 . 4 1 1 A 64 64 ARG N N 61 119.605 121.105 -1.500 1
1 785 . 4 1 1 A 65 65 LEU H H 62 9.085 9.182 -0.097 1
1 786 . 4 1 1 A 65 65 LEU HA H 62 5.432 5.239 0.193 1
1 796 . 4 1 1 A 65 65 LEU C C 62 174.534 174.418 0.116 1
1 797 . 4 1 1 A 65 65 LEU CA C 62 53.795 54.244 -0.449 1
1 798 . 4 1 1 A 65 65 LEU CB C 62 46.732 46.333 0.399 1
1 802 . 4 1 1 A 65 65 LEU N N 62 125.189 124.282 0.907 1
1 803 . 4 1 1 A 66 66 VAL H H 63 9.058 9.196 -0.138 1
1 804 . 4 1 1 A 66 66 VAL HA H 63 4.991 5.211 -0.220 1
1 812 . 4 1 1 A 66 66 VAL C C 63 174.699 174.941 -0.242 1
1 813 . 4 1 1 A 66 66 VAL CA C 63 60.795 60.736 0.059 1
1 814 . 4 1 1 A 66 66 VAL CB C 63 34.075 33.909 0.166 1
1 817 . 4 1 1 A 66 66 VAL N N 63 125.140 125.491 -0.351 1
1 818 . 4 1 1 A 67 67 TYR H H 64 9.091 8.923 0.168 1
1 819 . 4 1 1 A 67 67 TYR HA H 64 5.659 5.585 0.074 1
1 826 . 4 1 1 A 67 67 TYR C C 64 170.910 173.075 -2.165 1
1 827 . 4 1 1 A 67 67 TYR CA C 64 54.286 55.205 -0.919 1
1 828 . 4 1 1 A 67 67 TYR CB C 64 41.951 42.026 -0.075 1
1 829 . 4 1 1 A 67 67 TYR N N 64 124.150 123.790 0.360 1
1 830 . 4 1 1 A 68 68 GLN H H 65 9.814 9.424 0.390 1
1 831 . 4 1 1 A 68 68 GLN HA H 65 5.510 5.431 0.079 1
1 838 . 4 1 1 A 68 68 GLN C C 65 175.725 174.677 1.048 1
1 839 . 4 1 1 A 68 68 GLN CA C 65 53.092 54.609 -1.517 1
1 840 . 4 1 1 A 68 68 GLN CB C 65 32.600 31.638 0.962 1
1 842 . 4 1 1 A 68 68 GLN N N 65 123.050 119.192 3.858 1
1 844 . 4 1 1 A 69 69 VAL H H 66 9.198 9.548 -0.350 1
1 845 . 4 1 1 A 69 69 VAL HA H 66 4.369 4.620 -0.251 1
1 853 . 4 1 1 A 69 69 VAL C C 66 175.357 175.025 0.332 1
1 854 . 4 1 1 A 69 69 VAL CA C 66 63.045 61.975 1.070 1
1 855 . 4 1 1 A 69 69 VAL CB C 66 32.669 32.762 -0.093 1
1 858 . 4 1 1 A 69 69 VAL N N 66 127.343 123.654 3.689 1
1 859 . 4 1 1 A 70 70 ILE H H 67 9.241 9.325 -0.084 1
1 860 . 4 1 1 A 70 70 ILE HA H 67 4.471 4.420 0.051 1
1 870 . 4 1 1 A 70 70 ILE C C 67 177.081 176.737 0.344 1
1 871 . 4 1 1 A 70 70 ILE CA C 67 59.716 61.161 -1.445 1
1 872 . 4 1 1 A 70 70 ILE CB C 67 37.169 36.933 0.236 1
1 876 . 4 1 1 A 70 70 ILE N N 67 129.254 127.719 1.535 1
1 877 . 4 1 1 A 71 71 ASP H H 68 9.374 8.507 0.867 1
1 878 . 4 1 1 A 71 71 ASP HA H 68 4.574 4.755 -0.181 1
1 881 . 4 1 1 A 71 71 ASP C C 68 179.868 178.463 1.405 1
1 882 . 4 1 1 A 71 71 ASP CA C 68 58.797 56.702 2.095 1
1 883 . 4 1 1 A 71 71 ASP CB C 68 40.544 39.644 0.900 1
1 884 . 4 1 1 A 71 71 ASP N N 68 129.133 128.361 0.772 1
1 885 . 4 1 1 A 72 72 GLU H H 69 9.631 8.336 1.295 1
1 886 . 4 1 1 A 72 72 GLU HA H 69 4.088 4.159 -0.071 1
1 891 . 4 1 1 A 72 72 GLU C C 69 176.865 177.861 -0.996 1
1 892 . 4 1 1 A 72 72 GLU CA C 69 59.670 59.199 0.471 1
1 893 . 4 1 1 A 72 72 GLU CB C 69 29.100 29.675 -0.575 1
1 895 . 4 1 1 A 72 72 GLU N N 69 118.880 119.919 -1.039 1
1 896 . 4 1 1 A 73 73 LYS H H 70 6.582 7.744 -1.162 1
1 897 . 4 1 1 A 73 73 LYS HA H 70 4.474 4.403 0.071 1
1 906 . 4 1 1 A 73 73 LYS C C 70 173.964 175.571 -1.607 1
1 907 . 4 1 1 A 73 73 LYS CA C 70 54.604 55.757 -1.153 1
1 908 . 4 1 1 A 73 73 LYS CB C 70 34.075 33.298 0.777 1
1 912 . 4 1 1 A 73 73 LYS N N 70 114.014 117.148 -3.134 1
1 913 . 4 1 1 A 74 74 VAL H H 71 7.791 7.694 0.097 1
1 914 . 4 1 1 A 74 74 VAL HA H 71 2.948 3.481 -0.533 1
1 922 . 4 1 1 A 74 74 VAL C C 71 173.381 174.189 -0.808 1
1 923 . 4 1 1 A 74 74 VAL CA C 71 63.045 63.627 -0.582 1
1 924 . 4 1 1 A 74 74 VAL CB C 71 29.013 29.642 -0.629 1
1 927 . 4 1 1 A 74 74 VAL N N 71 119.301 116.142 3.159 1
1 928 . 4 1 1 A 75 75 VAL H H 72 7.736 7.886 -0.150 1
1 929 . 4 1 1 A 75 75 VAL HA H 72 5.159 5.063 0.096 1
1 937 . 4 1 1 A 75 75 VAL C C 72 175.028 173.624 1.404 1
1 938 . 4 1 1 A 75 75 VAL CA C 72 59.839 60.378 -0.539 1
1 939 . 4 1 1 A 75 75 VAL CB C 72 37.732 35.793 1.939 1
1 942 . 4 1 1 A 75 75 VAL N N 72 116.865 119.915 -3.050 1
1 943 . 4 1 1 A 76 76 VAL H H 73 9.006 9.301 -0.295 1
1 944 . 4 1 1 A 76 76 VAL HA H 73 4.190 4.657 -0.467 1
1 952 . 4 1 1 A 76 76 VAL C C 73 172.177 174.639 -2.462 1
1 953 . 4 1 1 A 76 76 VAL CA C 73 62.473 61.089 1.384 1
1 954 . 4 1 1 A 76 76 VAL CB C 73 32.388 32.649 -0.261 1
1 957 . 4 1 1 A 76 76 VAL N N 73 128.675 128.236 0.439 1
1 958 . 4 1 1 A 77 77 PHE H H 74 9.468 9.469 -0.001 1
1 959 . 4 1 1 A 77 77 PHE HA H 74 5.019 5.413 -0.394 1
1 966 . 4 1 1 A 77 77 PHE C C 74 174.420 173.867 0.553 1
1 967 . 4 1 1 A 77 77 PHE CA C 74 54.378 55.327 -0.949 1
1 968 . 4 1 1 A 77 77 PHE CB C 74 42.230 40.958 1.272 1
1 969 . 4 1 1 A 77 77 PHE N N 74 130.014 128.118 1.896 1
1 970 . 4 1 1 A 78 78 VAL H H 75 8.990 8.992 -0.002 1
1 971 . 4 1 1 A 78 78 VAL HA H 75 3.645 4.074 -0.429 1
1 979 . 4 1 1 A 78 78 VAL C C 75 174.813 175.410 -0.597 1
1 980 . 4 1 1 A 78 78 VAL CA C 75 64.452 63.397 1.055 1
1 981 . 4 1 1 A 78 78 VAL CB C 75 31.009 31.584 -0.575 1
1 984 . 4 1 1 A 78 78 VAL N N 75 128.474 127.319 1.155 1
1 985 . 4 1 1 A 79 79 ILE H H 76 8.679 9.133 -0.454 1
1 986 . 4 1 1 A 79 79 ILE HA H 76 4.171 4.203 -0.032 1
1 996 . 4 1 1 A 79 79 ILE C C 76 176.092 175.768 0.324 1
1 997 . 4 1 1 A 79 79 ILE CA C 76 61.635 62.230 -0.595 1
1 998 . 4 1 1 A 79 79 ILE CB C 76 39.982 39.336 0.646 1
1 1002 . 4 1 1 A 79 79 ILE N N 76 122.334 127.790 -5.456 1
1 1003 . 4 1 1 A 80 80 SER H H 77 7.614 7.934 -0.320 1
1 1004 . 4 1 1 A 80 80 SER HA H 77 4.724 5.241 -0.517 1
1 1007 . 4 1 1 A 80 80 SER C C 77 172.545 172.362 0.183 1
1 1008 . 4 1 1 A 80 80 SER CA C 77 57.849 57.526 0.323 1
1 1009 . 4 1 1 A 80 80 SER CB C 77 64.733 66.392 -1.659 1
1 1010 . 4 1 1 A 80 80 SER N N 77 113.369 116.396 -3.027 1
1 1011 . 4 1 1 A 81 81 VAL H H 78 8.814 8.781 0.033 1
1 1012 . 4 1 1 A 81 81 VAL HA H 78 5.102 5.170 -0.068 1
1 1020 . 4 1 1 A 81 81 VAL C C 78 173.761 174.476 -0.715 1
1 1021 . 4 1 1 A 81 81 VAL CA C 78 61.004 59.835 1.169 1
1 1022 . 4 1 1 A 81 81 VAL CB C 78 34.638 35.564 -0.926 1
1 1025 . 4 1 1 A 81 81 VAL N N 78 123.792 122.318 1.474 1
1 1026 . 4 1 1 A 82 82 GLY H H 79 8.628 8.483 0.145 1
1 1027 . 4 1 1 A 82 82 GLY HA2 H 79 4.365 4.284 0.081 1
1 1028 . 4 1 1 A 82 82 GLY HA3 H 79 4.214 4.407 -0.193 1
1 1029 . 4 1 1 A 82 82 GLY C C 79 171.201 172.126 -0.925 1
1 1030 . 4 1 1 A 82 82 GLY CA C 79 45.606 44.777 0.829 1
1 1031 . 4 1 1 A 82 82 GLY N N 79 111.112 114.063 -2.951 1
1 1032 . 4 1 1 A 83 83 LYS H H 80 8.670 8.359 0.311 1
1 1033 . 4 1 1 A 83 83 LYS HA H 80 4.205 4.597 -0.392 1
1 1042 . 4 1 1 A 83 83 LYS C C 80 176.080 175.477 0.603 1
1 1043 . 4 1 1 A 83 83 LYS CA C 80 55.451 55.215 0.236 1
1 1044 . 4 1 1 A 83 83 LYS CB C 80 32.665 33.974 -1.309 1
1 1048 . 4 1 1 A 83 83 LYS N N 80 120.943 122.294 -1.351 1
1 1049 . 4 1 1 A 84 84 ALA H H 81 8.049 8.378 -0.329 1
1 1050 . 4 1 1 A 84 84 ALA HA H 81 4.182 5.078 -0.896 1
1 1054 . 4 1 1 A 84 84 ALA C C 81 176.941 177.031 -0.090 1
1 1055 . 4 1 1 A 84 84 ALA CA C 81 52.248 50.569 1.679 1
1 1056 . 4 1 1 A 84 84 ALA CB C 81 19.450 19.762 -0.312 1
1 1057 . 4 1 1 A 84 84 ALA N N 81 125.262 126.593 -1.331 1
1 1058 . 4 1 1 A 85 85 GLU H H 82 8.460 8.844 -0.384 1
1 1059 . 4 1 1 A 85 85 GLU HA H 82 4.230 4.628 -0.398 1
1 1064 . 4 1 1 A 85 85 GLU C C 82 176.599 177.359 -0.760 1
1 1065 . 4 1 1 A 85 85 GLU CA C 82 56.446 56.844 -0.398 1
1 1066 . 4 1 1 A 85 85 GLU CB C 82 29.853 31.341 -1.488 1
1 1068 . 4 1 1 A 85 85 GLU N N 82 119.296 123.502 -4.206 1
1 1069 . 4 1 1 A 86 86 ALA H H 83 8.403 8.354 0.049 1
1 1070 . 4 1 1 A 86 86 ALA HA H 83 4.149 4.411 -0.262 1
1 1074 . 4 1 1 A 86 86 ALA C C 83 177.777 176.421 1.356 1
1 1075 . 4 1 1 A 86 86 ALA CA C 83 53.448 51.314 2.134 1
1 1076 . 4 1 1 A 86 86 ALA CB C 83 18.887 18.375 0.512 1
1 1077 . 4 1 1 A 86 86 ALA N N 83 124.833 119.364 5.469 1
1 1078 . 4 1 1 A 87 87 SER H H 84 8.301 8.256 0.045 1
1 1079 . 4 1 1 A 87 87 SER HA H 84 4.297 4.277 0.020 1
1 1082 . 4 1 1 A 87 87 SER C C 84 175.370 174.673 0.697 1
1 1083 . 4 1 1 A 87 87 SER N N 84 113.395 110.760 2.635 1
1 1084 . 4 1 1 A 88 88 GLU H H 85 8.271 8.214 0.057 1
1 1085 . 4 1 1 A 88 88 GLU HA H 85 4.239 4.125 0.114 1
1 1090 . 4 1 1 A 88 88 GLU C C 85 177.081 178.091 -1.010 1
1 1091 . 4 1 1 A 88 88 GLU CA C 85 57.140 59.259 -2.119 1
1 1092 . 4 1 1 A 88 88 GLU CB C 85 29.856 28.970 0.886 1
1 1094 . 4 1 1 A 88 88 GLU N N 85 122.554 118.840 3.714 1
1 1095 . 4 1 1 A 89 89 VAL H H 86 7.833 7.648 0.185 1
1 1096 . 4 1 1 A 89 89 VAL HA H 86 3.895 3.743 0.152 1
1 1104 . 4 1 1 A 89 89 VAL C C 86 177.172 177.672 -0.500 1
1 1105 . 4 1 1 A 89 89 VAL CA C 86 63.045 65.502 -2.457 1
1 1106 . 4 1 1 A 89 89 VAL CB C 86 32.107 31.287 0.820 1
1 1109 . 4 1 1 A 89 89 VAL N N 86 119.916 116.788 3.128 1
1 1110 . 4 1 1 A 90 90 TYR H H 87 8.142 7.041 1.101 1
1 1111 . 4 1 1 A 90 90 TYR HA H 87 4.479 4.313 0.166 1
1 1118 . 4 1 1 A 90 90 TYR C C 87 176.637 178.477 -1.840 1
1 1119 . 4 1 1 A 90 90 TYR CA C 87 58.545 60.532 -1.987 1
1 1120 . 4 1 1 A 90 90 TYR CB C 87 37.732 38.288 -0.556 1
1 1121 . 4 1 1 A 90 90 TYR N N 87 122.303 122.164 0.139 1
1 1122 . 4 1 1 A 91 91 SER H H 88 8.090 8.246 -0.156 1
1 1123 . 4 1 1 A 91 91 SER HA H 88 4.335 4.257 0.078 1
1 1126 . 4 1 1 A 91 91 SER C C 88 176.130 176.936 -0.806 1
1 1127 . 4 1 1 A 91 91 SER CA C 88 59.899 61.737 -1.838 1
1 1128 . 4 1 1 A 91 91 SER CB C 88 62.483 62.888 -0.405 1
1 1129 . 4 1 1 A 91 91 SER N N 88 115.828 116.189 -0.361 1
1 1130 . 4 1 1 A 92 92 GLU H H 89 8.234 8.002 0.232 1
1 1131 . 4 1 1 A 92 92 GLU HA H 89 4.213 4.111 0.102 1
1 1136 . 4 1 1 A 92 92 GLU C C 89 177.600 179.228 -1.628 1
1 1137 . 4 1 1 A 92 92 GLU CA C 89 57.701 58.933 -1.232 1
1 1138 . 4 1 1 A 92 92 GLU CB C 89 29.575 28.730 0.845 1
1 1140 . 4 1 1 A 92 92 GLU N N 89 121.225 121.495 -0.270 1
1 1141 . 4 1 1 A 93 93 ALA H H 90 7.960 7.985 -0.025 1
1 1142 . 4 1 1 A 93 93 ALA HA H 90 4.025 4.112 -0.087 1
1 1146 . 4 1 1 A 93 93 ALA C C 90 178.550 179.388 -0.838 1
1 1147 . 4 1 1 A 93 93 ALA CA C 90 54.225 55.139 -0.914 1
1 1148 . 4 1 1 A 93 93 ALA CB C 90 18.325 18.644 -0.319 1
1 1149 . 4 1 1 A 93 93 ALA N N 90 122.055 123.350 -1.295 1
1 1150 . 4 1 1 A 94 94 VAL H H 91 7.799 8.233 -0.434 1
1 1151 . 4 1 1 A 94 94 VAL HA H 91 3.818 3.851 -0.033 1
1 1159 . 4 1 1 A 94 94 VAL CA C 91 64.167 65.243 -1.076 1
1 1160 . 4 1 1 A 94 94 VAL CB C 91 31.825 31.166 0.659 1
1 1163 . 4 1 1 A 94 94 VAL N N 91 115.727 117.169 -1.442 1
1 1164 . 4 1 1 A 95 95 LYS H H 92 7.764 8.021 -0.257 1
1 1165 . 4 1 1 A 95 95 LYS HA H 92 4.197 4.277 -0.080 1
1 1174 . 4 1 1 A 95 95 LYS C C 92 177.600 178.345 -0.745 1
1 1175 . 4 1 1 A 95 95 LYS CA C 92 57.139 58.730 -1.591 1
1 1176 . 4 1 1 A 95 95 LYS CB C 92 32.600 32.248 0.352 1
1 1180 . 4 1 1 A 95 95 LYS N N 92 120.823 122.113 -1.290 1
1 1181 . 4 1 1 A 96 96 ARG H H 93 7.970 7.841 0.129 1
1 1182 . 4 1 1 A 96 96 ARG HA H 93 4.341 4.148 0.193 1
1 1189 . 4 1 1 A 96 96 ARG C C 93 179.703 178.964 0.739 1
1 1190 . 4 1 1 A 96 96 ARG CA C 93 56.295 58.589 -2.294 1
1 1191 . 4 1 1 A 96 96 ARG CB C 93 31.400 30.052 1.348 1
1 1194 . 4 1 1 A 96 96 ARG N N 93 119.070 120.292 -1.222 1
1 1195 . 4 1 1 A 97 97 ILE H H 94 8.012 7.924 0.088 1
1 1196 . 4 1 1 A 97 97 ILE HA H 94 4.216 3.775 0.441 1
1 1206 . 4 1 1 A 97 97 ILE C C 94 175.509 178.423 -2.914 1
1 1207 . 4 1 1 A 97 97 ILE CA C 94 61.362 65.019 -3.657 1
1 1208 . 4 1 1 A 97 97 ILE CB C 94 38.576 38.221 0.355 1
1 1212 . 4 1 1 A 97 97 ILE N N 94 120.512 120.363 0.149 1
1 16 . 5 1 1 A 5 5 ALA H H 2 8.084 8.719 -0.635 1
1 17 . 5 1 1 A 5 5 ALA HA H 2 4.423 5.426 -1.003 1
1 21 . 5 1 1 A 5 5 ALA C C 2 176.536 175.854 0.682 1
1 22 . 5 1 1 A 5 5 ALA CA C 2 51.634 50.634 1.000 1
1 23 . 5 1 1 A 5 5 ALA CB C 2 19.439 21.241 -1.802 1
1 24 . 5 1 1 A 5 5 ALA N N 2 125.284 124.209 1.075 1
1 25 . 5 1 1 A 6 6 TYR H H 3 8.406 8.723 -0.317 1
1 26 . 5 1 1 A 6 6 TYR HA H 3 4.312 4.787 -0.475 1
1 33 . 5 1 1 A 6 6 TYR C C 3 175.433 175.765 -0.332 1
1 34 . 5 1 1 A 6 6 TYR CA C 3 57.701 56.909 0.792 1
1 35 . 5 1 1 A 6 6 TYR CB C 3 39.701 41.129 -1.428 1
1 36 . 5 1 1 A 6 6 TYR N N 3 120.887 118.833 2.054 1
1 37 . 5 1 1 A 7 7 PHE H H 4 8.703 9.431 -0.728 1
1 38 . 5 1 1 A 7 7 PHE HA H 4 4.645 4.805 -0.160 1
1 45 . 5 1 1 A 7 7 PHE C C 4 173.812 175.055 -1.243 1
1 46 . 5 1 1 A 7 7 PHE CA C 4 56.853 57.879 -1.026 1
1 47 . 5 1 1 A 7 7 PHE CB C 4 40.541 40.335 0.206 1
1 48 . 5 1 1 A 7 7 PHE N N 4 119.295 120.626 -1.331 1
1 49 . 5 1 1 A 8 8 LEU H H 5 8.255 8.659 -0.404 1
1 50 . 5 1 1 A 8 8 LEU HA H 5 4.985 5.253 -0.268 1
1 60 . 5 1 1 A 8 8 LEU C C 5 174.927 174.381 0.546 1
1 61 . 5 1 1 A 8 8 LEU CA C 5 53.544 53.322 0.222 1
1 62 . 5 1 1 A 8 8 LEU CB C 5 44.201 45.911 -1.710 1
1 66 . 5 1 1 A 8 8 LEU N N 5 124.516 122.799 1.717 1
1 67 . 5 1 1 A 9 9 ASP H H 6 9.047 8.683 0.364 1
1 68 . 5 1 1 A 9 9 ASP HA H 6 5.089 5.347 -0.258 1
1 71 . 5 1 1 A 9 9 ASP C C 6 173.216 174.272 -1.056 1
1 72 . 5 1 1 A 9 9 ASP CA C 6 52.278 52.874 -0.596 1
1 73 . 5 1 1 A 9 9 ASP CB C 6 45.326 45.309 0.017 1
1 74 . 5 1 1 A 9 9 ASP N N 6 126.171 124.515 1.656 1
1 75 . 5 1 1 A 10 10 PHE H H 7 8.891 8.839 0.052 1
1 76 . 5 1 1 A 10 10 PHE HA H 7 4.545 4.629 -0.084 1
1 83 . 5 1 1 A 10 10 PHE C C 7 175.218 174.606 0.612 1
1 84 . 5 1 1 A 10 10 PHE CA C 7 56.243 55.807 0.436 1
1 85 . 5 1 1 A 10 10 PHE CB C 7 43.638 41.989 1.649 1
1 86 . 5 1 1 A 10 10 PHE N N 7 119.178 120.240 -1.062 1
1 87 . 5 1 1 A 11 11 ASP H H 8 8.124 8.358 -0.234 1
1 88 . 5 1 1 A 11 11 ASP HA H 8 4.551 4.730 -0.179 1
1 91 . 5 1 1 A 11 11 ASP C C 8 177.157 177.302 -0.145 1
1 92 . 5 1 1 A 11 11 ASP CA C 8 54.315 54.246 0.069 1
1 93 . 5 1 1 A 11 11 ASP CB C 8 44.201 42.477 1.724 1
1 94 . 5 1 1 A 11 11 ASP N N 8 123.305 123.576 -0.271 1
1 95 . 5 1 1 A 12 12 GLU H H 9 9.197 9.033 0.164 1
1 96 . 5 1 1 A 12 12 GLU HA H 9 4.016 4.101 -0.085 1
1 101 . 5 1 1 A 12 12 GLU C C 9 178.880 178.530 0.350 1
1 102 . 5 1 1 A 12 12 GLU CA C 9 60.365 59.457 0.908 1
1 103 . 5 1 1 A 12 12 GLU CB C 9 29.670 29.322 0.348 1
1 105 . 5 1 1 A 12 12 GLU N N 9 127.082 123.057 4.025 1
1 106 . 5 1 1 A 13 13 ARG H H 10 8.949 8.393 0.556 1
1 107 . 5 1 1 A 13 13 ARG HA H 10 4.097 4.084 0.013 1
1 114 . 5 1 1 A 13 13 ARG C C 10 179.273 179.314 -0.041 1
1 115 . 5 1 1 A 13 13 ARG CA C 10 58.924 59.132 -0.208 1
1 116 . 5 1 1 A 13 13 ARG CB C 10 30.138 30.428 -0.290 1
1 119 . 5 1 1 A 13 13 ARG N N 10 119.265 119.593 -0.328 1
1 120 . 5 1 1 A 14 14 ALA H H 11 7.451 8.196 -0.745 1
1 121 . 5 1 1 A 14 14 ALA HA H 11 4.685 4.184 0.501 1
1 125 . 5 1 1 A 14 14 ALA C C 11 179.564 180.641 -1.077 1
1 126 . 5 1 1 A 14 14 ALA CA C 11 53.705 54.985 -1.280 1
1 127 . 5 1 1 A 14 14 ALA CB C 11 18.325 18.403 -0.078 1
1 128 . 5 1 1 A 14 14 ALA N N 11 122.421 121.828 0.593 1
1 129 . 5 1 1 A 15 15 LEU H H 12 8.683 8.106 0.577 1
1 130 . 5 1 1 A 15 15 LEU HA H 12 3.877 3.900 -0.023 1
1 140 . 5 1 1 A 15 15 LEU C C 12 178.550 179.556 -1.006 1
1 141 . 5 1 1 A 15 15 LEU CA C 12 57.139 57.269 -0.130 1
1 142 . 5 1 1 A 15 15 LEU CB C 12 41.103 41.378 -0.275 1
1 146 . 5 1 1 A 15 15 LEU N N 12 120.118 119.863 0.255 1
1 147 . 5 1 1 A 16 16 LYS H H 13 7.345 7.863 -0.518 1
1 148 . 5 1 1 A 16 16 LYS HA H 13 3.995 3.976 0.019 1
1 157 . 5 1 1 A 16 16 LYS C C 13 179.678 179.797 -0.119 1
1 158 . 5 1 1 A 16 16 LYS CA C 13 59.700 60.335 -0.635 1
1 159 . 5 1 1 A 16 16 LYS CB C 13 32.388 32.084 0.304 1
1 163 . 5 1 1 A 16 16 LYS N N 13 117.725 118.586 -0.861 1
1 164 . 5 1 1 A 17 17 GLU H H 14 7.453 7.997 -0.544 1
1 165 . 5 1 1 A 17 17 GLU HA H 14 4.016 4.117 -0.101 1
1 170 . 5 1 1 A 17 17 GLU C C 14 179.589 179.125 0.464 1
1 171 . 5 1 1 A 17 17 GLU CA C 14 58.841 59.148 -0.307 1
1 172 . 5 1 1 A 17 17 GLU CB C 14 29.298 29.406 -0.108 1
1 174 . 5 1 1 A 17 17 GLU N N 14 118.019 119.813 -1.794 1
1 175 . 5 1 1 A 18 18 TRP H H 15 9.081 8.497 0.584 1
1 176 . 5 1 1 A 18 18 TRP HA H 15 4.174 4.175 -0.001 1
1 183 . 5 1 1 A 18 18 TRP C C 15 178.360 178.654 -0.294 1
1 184 . 5 1 1 A 18 18 TRP CA C 15 59.938 60.947 -1.009 1
1 185 . 5 1 1 A 18 18 TRP CB C 15 30.241 29.706 0.535 1
1 186 . 5 1 1 A 18 18 TRP N N 15 122.628 122.088 0.540 1
1 188 . 5 1 1 A 19 19 ARG H H 16 8.197 8.033 0.164 1
1 189 . 5 1 1 A 19 19 ARG HA H 16 3.863 4.044 -0.181 1
1 196 . 5 1 1 A 19 19 ARG C C 16 177.030 179.222 -2.192 1
1 197 . 5 1 1 A 19 19 ARG CA C 16 58.516 59.277 -0.761 1
1 198 . 5 1 1 A 19 19 ARG CB C 16 30.300 29.821 0.479 1
1 201 . 5 1 1 A 19 19 ARG N N 16 115.582 118.660 -3.078 1
1 202 . 5 1 1 A 20 20 LYS H H 17 7.308 7.800 -0.492 1
1 203 . 5 1 1 A 20 20 LYS HA H 17 4.238 4.110 0.128 1
1 212 . 5 1 1 A 20 20 LYS C C 17 177.043 177.087 -0.044 1
1 213 . 5 1 1 A 20 20 LYS CA C 17 56.270 58.340 -2.070 1
1 214 . 5 1 1 A 20 20 LYS CB C 17 32.300 32.171 0.129 1
1 218 . 5 1 1 A 20 20 LYS N N 17 116.689 119.558 -2.869 1
1 219 . 5 1 1 A 21 21 LEU H H 18 6.998 7.294 -0.296 1
1 220 . 5 1 1 A 21 21 LEU HA H 18 4.026 4.207 -0.181 1
1 230 . 5 1 1 A 21 21 LEU C C 18 177.676 177.464 0.212 1
1 231 . 5 1 1 A 21 21 LEU CA C 18 54.567 54.424 0.143 1
1 232 . 5 1 1 A 21 21 LEU CB C 18 43.357 42.152 1.205 1
1 236 . 5 1 1 A 21 21 LEU N N 18 118.778 122.145 -3.367 1
1 237 . 5 1 1 A 22 22 GLY H H 19 8.370 8.258 0.112 1
1 238 . 5 1 1 A 22 22 GLY HA2 H 19 4.064 3.945 0.119 1
1 239 . 5 1 1 A 22 22 GLY HA3 H 19 3.845 3.976 -0.131 1
1 240 . 5 1 1 A 22 22 GLY C C 19 174.813 174.855 -0.042 1
1 241 . 5 1 1 A 22 22 GLY CA C 19 45.045 45.424 -0.379 1
1 242 . 5 1 1 A 22 22 GLY N N 19 107.490 109.415 -1.925 1
1 243 . 5 1 1 A 23 23 SER H H 20 8.675 8.696 -0.021 1
1 244 . 5 1 1 A 23 23 SER HA H 20 4.288 3.893 0.395 1
1 247 . 5 1 1 A 23 23 SER CA C 20 58.981 62.599 -3.618 1
1 248 . 5 1 1 A 23 23 SER CB C 20 63.045 62.687 0.358 1
1 249 . 5 1 1 A 23 23 SER N N 20 117.877 118.881 -1.004 1
1 250 . 5 1 1 A 24 24 THR H H 21 8.216 7.954 0.262 1
1 251 . 5 1 1 A 24 24 THR HA H 21 3.983 3.903 0.080 1
1 256 . 5 1 1 A 24 24 THR C C 21 176.510 176.736 -0.226 1
1 257 . 5 1 1 A 24 24 THR CA C 21 65.858 66.706 -0.848 1
1 258 . 5 1 1 A 24 24 THR CB C 21 67.941 67.905 0.036 1
1 260 . 5 1 1 A 24 24 THR N N 21 115.680 117.537 -1.857 1
1 261 . 5 1 1 A 25 25 VAL H H 22 7.143 8.025 -0.882 1
1 262 . 5 1 1 A 25 25 VAL HA H 22 3.545 3.394 0.151 1
1 270 . 5 1 1 A 25 25 VAL C C 22 177.613 177.660 -0.047 1
1 271 . 5 1 1 A 25 25 VAL CA C 22 65.577 66.711 -1.134 1
1 272 . 5 1 1 A 25 25 VAL CB C 22 31.544 31.191 0.353 1
1 275 . 5 1 1 A 25 25 VAL N N 22 122.443 121.793 0.650 1
1 276 . 5 1 1 A 26 26 ARG H H 23 7.840 8.317 -0.477 1
1 277 . 5 1 1 A 26 26 ARG HA H 23 3.156 3.604 -0.448 1
1 284 . 5 1 1 A 26 26 ARG C C 23 177.790 178.213 -0.423 1
1 285 . 5 1 1 A 26 26 ARG CA C 23 59.951 58.444 1.507 1
1 286 . 5 1 1 A 26 26 ARG CB C 23 29.590 29.042 0.548 1
1 289 . 5 1 1 A 26 26 ARG N N 23 119.146 119.629 -0.483 1
1 290 . 5 1 1 A 27 27 GLU H H 24 8.159 8.616 -0.457 1
1 291 . 5 1 1 A 27 27 GLU HA H 24 3.970 4.083 -0.113 1
1 296 . 5 1 1 A 27 27 GLU C C 24 179.577 179.380 0.197 1
1 297 . 5 1 1 A 27 27 GLU CA C 24 59.400 59.190 0.210 1
1 298 . 5 1 1 A 27 27 GLU CB C 24 29.013 29.289 -0.276 1
1 300 . 5 1 1 A 27 27 GLU N N 24 116.672 118.207 -1.535 1
1 301 . 5 1 1 A 28 28 GLN H H 25 7.693 7.593 0.100 1
1 302 . 5 1 1 A 28 28 GLN HA H 25 4.094 4.041 0.053 1
1 309 . 5 1 1 A 28 28 GLN C C 25 179.919 178.849 1.070 1
1 310 . 5 1 1 A 28 28 GLN CA C 25 59.108 58.945 0.163 1
1 311 . 5 1 1 A 28 28 GLN CB C 25 29.575 28.371 1.204 1
1 313 . 5 1 1 A 28 28 GLN N N 25 118.482 119.533 -1.051 1
1 315 . 5 1 1 A 29 29 LEU H H 26 8.441 8.545 -0.104 1
1 316 . 5 1 1 A 29 29 LEU HA H 26 4.096 4.111 -0.015 1
1 326 . 5 1 1 A 29 29 LEU C C 26 178.804 179.288 -0.484 1
1 327 . 5 1 1 A 29 29 LEU CA C 26 57.983 58.177 -0.194 1
1 328 . 5 1 1 A 29 29 LEU CB C 26 42.513 41.739 0.774 1
1 332 . 5 1 1 A 29 29 LEU N N 26 119.907 120.059 -0.152 1
1 333 . 5 1 1 A 30 30 LYS H H 27 9.233 8.889 0.344 1
1 334 . 5 1 1 A 30 30 LYS HA H 27 4.076 4.246 -0.170 1
1 343 . 5 1 1 A 30 30 LYS C C 27 178.056 178.591 -0.535 1
1 344 . 5 1 1 A 30 30 LYS CA C 27 60.233 59.883 0.350 1
1 345 . 5 1 1 A 30 30 LYS CB C 27 32.103 32.521 -0.418 1
1 349 . 5 1 1 A 30 30 LYS N N 27 120.508 120.531 -0.023 1
1 350 . 5 1 1 A 31 31 LYS H H 28 7.698 7.713 -0.015 1
1 351 . 5 1 1 A 31 31 LYS HA H 28 4.056 4.064 -0.008 1
1 360 . 5 1 1 A 31 31 LYS C C 28 179.539 179.900 -0.361 1
1 361 . 5 1 1 A 31 31 LYS CA C 28 59.596 59.849 -0.253 1
1 362 . 5 1 1 A 31 31 LYS CB C 28 32.400 32.248 0.152 1
1 366 . 5 1 1 A 31 31 LYS N N 28 117.412 117.821 -0.409 1
1 367 . 5 1 1 A 32 32 LYS H H 29 7.347 7.478 -0.131 1
1 368 . 5 1 1 A 32 32 LYS HA H 29 4.230 4.073 0.157 1
1 377 . 5 1 1 A 32 32 LYS C C 29 179.057 179.309 -0.252 1
1 378 . 5 1 1 A 32 32 LYS CA C 29 57.553 59.331 -1.778 1
1 379 . 5 1 1 A 32 32 LYS CB C 29 32.103 32.320 -0.217 1
1 383 . 5 1 1 A 32 32 LYS N N 29 116.983 120.248 -3.265 1
1 384 . 5 1 1 A 33 33 LEU H H 30 8.663 8.230 0.433 1
1 385 . 5 1 1 A 33 33 LEU HA H 30 3.844 3.999 -0.155 1
1 395 . 5 1 1 A 33 33 LEU C C 30 177.765 178.853 -1.088 1
1 396 . 5 1 1 A 33 33 LEU CA C 30 57.420 58.156 -0.736 1
1 397 . 5 1 1 A 33 33 LEU CB C 30 42.513 42.006 0.507 1
1 401 . 5 1 1 A 33 33 LEU N N 30 121.134 120.718 0.416 1
1 402 . 5 1 1 A 34 34 VAL H H 31 8.185 8.276 -0.091 1
1 403 . 5 1 1 A 34 34 VAL HA H 31 3.548 3.477 0.071 1
1 411 . 5 1 1 A 34 34 VAL C C 31 178.639 177.786 0.853 1
1 412 . 5 1 1 A 34 34 VAL CA C 31 66.702 66.834 -0.132 1
1 413 . 5 1 1 A 34 34 VAL CB C 31 31.544 31.258 0.286 1
1 416 . 5 1 1 A 34 34 VAL N N 31 117.076 118.375 -1.299 1
1 417 . 5 1 1 A 35 35 GLU H H 32 7.143 8.574 -1.431 1
1 418 . 5 1 1 A 35 35 GLU HA H 32 4.093 4.069 0.024 1
1 423 . 5 1 1 A 35 35 GLU C C 32 179.450 178.663 0.787 1
1 424 . 5 1 1 A 35 35 GLU CA C 32 58.264 59.087 -0.823 1
1 425 . 5 1 1 A 35 35 GLU CB C 32 29.575 29.215 0.360 1
1 427 . 5 1 1 A 35 35 GLU N N 32 117.290 119.394 -2.104 1
1 428 . 5 1 1 A 36 36 VAL H H 33 7.659 8.436 -0.777 1
1 429 . 5 1 1 A 36 36 VAL HA H 33 3.774 3.845 -0.071 1
1 437 . 5 1 1 A 36 36 VAL C C 33 176.929 177.592 -0.663 1
1 438 . 5 1 1 A 36 36 VAL CA C 33 63.889 65.158 -1.269 1
1 439 . 5 1 1 A 36 36 VAL CB C 33 31.825 31.206 0.619 1
1 442 . 5 1 1 A 36 36 VAL N N 33 118.056 119.710 -1.654 1
1 443 . 5 1 1 A 37 37 LEU H H 34 7.679 7.778 -0.099 1
1 444 . 5 1 1 A 37 37 LEU HA H 34 3.619 3.910 -0.291 1
1 454 . 5 1 1 A 37 37 LEU C C 34 177.968 179.478 -1.510 1
1 455 . 5 1 1 A 37 37 LEU CA C 34 57.420 57.230 0.190 1
1 456 . 5 1 1 A 37 37 LEU CB C 34 40.263 41.452 -1.189 1
1 460 . 5 1 1 A 37 37 LEU N N 34 116.847 121.633 -4.786 1
1 461 . 5 1 1 A 38 38 GLU H H 35 7.238 8.521 -1.283 1
1 462 . 5 1 1 A 38 38 GLU HA H 35 4.295 4.241 0.054 1
1 467 . 5 1 1 A 38 38 GLU C C 35 177.853 176.538 1.315 1
1 468 . 5 1 1 A 38 38 GLU CA C 35 57.900 58.160 -0.260 1
1 469 . 5 1 1 A 38 38 GLU CB C 35 30.138 28.589 1.549 1
1 471 . 5 1 1 A 38 38 GLU N N 35 113.881 116.752 -2.871 1
1 472 . 5 1 1 A 39 39 SER H H 36 7.101 7.929 -0.828 1
1 473 . 5 1 1 A 39 39 SER HA H 36 4.518 4.760 -0.242 1
1 476 . 5 1 1 A 39 39 SER CA C 36 55.553 55.537 0.016 1
1 477 . 5 1 1 A 39 39 SER CB C 36 61.920 62.774 -0.854 1
1 478 . 5 1 1 A 39 39 SER N N 36 109.128 113.886 -4.758 1
1 479 . 5 1 1 A 40 40 PRO HA H 37 4.363 4.346 0.017 1
1 486 . 5 1 1 A 40 40 PRO C C 37 177.879 177.036 0.843 1
1 487 . 5 1 1 A 40 40 PRO CA C 37 64.705 63.742 0.963 1
1 488 . 5 1 1 A 40 40 PRO CB C 37 32.669 31.954 0.715 1
1 491 . 5 1 1 A 41 41 ARG H H 38 8.299 8.123 0.176 1
1 492 . 5 1 1 A 41 41 ARG HA H 38 3.183 3.732 -0.549 1
1 499 . 5 1 1 A 41 41 ARG C C 38 174.217 175.708 -1.491 1
1 500 . 5 1 1 A 41 41 ARG CA C 38 56.014 55.909 0.105 1
1 501 . 5 1 1 A 41 41 ARG CB C 38 29.571 29.661 -0.090 1
1 504 . 5 1 1 A 41 41 ARG N N 38 121.121 115.298 5.823 1
1 505 . 5 1 1 A 42 42 ILE H H 39 5.995 7.274 -1.279 1
1 506 . 5 1 1 A 42 42 ILE HA H 39 4.177 4.272 -0.095 1
1 516 . 5 1 1 A 42 42 ILE C C 39 176.295 177.678 -1.383 1
1 517 . 5 1 1 A 42 42 ILE CA C 39 59.389 61.389 -2.000 1
1 518 . 5 1 1 A 42 42 ILE CB C 39 39.138 37.030 2.108 1
1 522 . 5 1 1 A 42 42 ILE N N 39 128.247 122.231 6.016 1
1 523 . 5 1 1 A 43 43 GLU H H 40 8.893 8.905 -0.012 1
1 524 . 5 1 1 A 43 43 GLU HA H 40 4.174 4.175 -0.001 1
1 529 . 5 1 1 A 43 43 GLU C C 40 178.918 178.360 0.558 1
1 530 . 5 1 1 A 43 43 GLU CA C 40 60.336 59.092 1.244 1
1 531 . 5 1 1 A 43 43 GLU CB C 40 29.100 29.088 0.012 1
1 533 . 5 1 1 A 43 43 GLU N N 40 130.055 127.816 2.239 1
1 534 . 5 1 1 A 44 44 ALA H H 41 8.851 7.801 1.050 1
1 535 . 5 1 1 A 44 44 ALA HA H 41 4.222 4.188 0.034 1
1 539 . 5 1 1 A 44 44 ALA C C 41 178.069 178.023 0.046 1
1 540 . 5 1 1 A 44 44 ALA CA C 41 54.148 53.916 0.232 1
1 541 . 5 1 1 A 44 44 ALA CB C 41 18.606 18.378 0.228 1
1 542 . 5 1 1 A 44 44 ALA N N 41 119.773 121.899 -2.126 1
1 543 . 5 1 1 A 45 45 ASN H H 42 8.176 8.321 -0.145 1
1 544 . 5 1 1 A 45 45 ASN HA H 42 5.046 4.846 0.200 1
1 549 . 5 1 1 A 45 45 ASN C C 42 174.521 174.774 -0.253 1
1 550 . 5 1 1 A 45 45 ASN CA C 42 51.495 53.099 -1.604 1
1 551 . 5 1 1 A 45 45 ASN CB C 42 38.853 39.632 -0.779 1
1 552 . 5 1 1 A 45 45 ASN N N 42 114.425 114.976 -0.551 1
1 554 . 5 1 1 A 46 46 LYS H H 43 7.524 7.182 0.342 1
1 555 . 5 1 1 A 46 46 LYS HA H 43 3.769 4.288 -0.519 1
1 564 . 5 1 1 A 46 46 LYS C C 43 176.143 176.281 -0.138 1
1 565 . 5 1 1 A 46 46 LYS CA C 43 56.858 55.644 1.214 1
1 566 . 5 1 1 A 46 46 LYS CB C 43 33.232 32.884 0.348 1
1 570 . 5 1 1 A 46 46 LYS N N 43 122.393 117.341 5.052 1
1 571 . 5 1 1 A 47 47 LEU H H 44 7.982 8.708 -0.726 1
1 572 . 5 1 1 A 47 47 LEU HA H 44 4.374 4.435 -0.061 1
1 582 . 5 1 1 A 47 47 LEU C C 44 176.143 178.720 -2.577 1
1 583 . 5 1 1 A 47 47 LEU CA C 44 53.746 54.861 -1.115 1
1 584 . 5 1 1 A 47 47 LEU CB C 44 41.951 42.154 -0.203 1
1 588 . 5 1 1 A 47 47 LEU N N 44 127.624 123.032 4.592 1
1 589 . 5 1 1 A 48 48 ARG H H 45 8.549 8.945 -0.396 1
1 590 . 5 1 1 A 48 48 ARG HA H 45 4.346 4.093 0.253 1
1 597 . 5 1 1 A 48 48 ARG CA C 45 55.800 58.550 -2.750 1
1 598 . 5 1 1 A 48 48 ARG CB C 45 31.263 29.725 1.538 1
1 601 . 5 1 1 A 48 48 ARG N N 45 125.873 121.986 3.887 1
1 602 . 5 1 1 A 49 49 GLY H H 46 8.800 7.959 0.841 1
1 603 . 5 1 1 A 49 49 GLY HA2 H 46 3.760 4.013 -0.253 1
1 604 . 5 1 1 A 49 49 GLY HA3 H 46 4.070 4.019 0.051 1
1 605 . 5 1 1 A 49 49 GLY C C 46 173.482 173.618 -0.136 1
1 606 . 5 1 1 A 49 49 GLY CA C 46 45.326 45.516 -0.190 1
1 607 . 5 1 1 A 49 49 GLY N N 46 111.980 106.898 5.082 1
1 608 . 5 1 1 A 50 50 MET H H 47 7.272 7.555 -0.283 1
1 609 . 5 1 1 A 50 50 MET HA H 47 4.921 4.784 0.137 1
1 617 . 5 1 1 A 50 50 MET CA C 47 52.049 53.218 -1.169 1
1 618 . 5 1 1 A 50 50 MET CB C 47 33.794 32.995 0.799 1
1 621 . 5 1 1 A 50 50 MET N N 47 119.077 119.223 -0.146 1
1 622 . 5 1 1 A 51 51 PRO HA H 48 4.294 4.351 -0.057 1
1 629 . 5 1 1 A 51 51 PRO C C 48 176.460 176.781 -0.321 1
1 630 . 5 1 1 A 51 51 PRO CA C 48 63.879 63.260 0.619 1
1 631 . 5 1 1 A 51 51 PRO CB C 48 31.825 31.269 0.556 1
1 634 . 5 1 1 A 52 52 ASP H H 49 8.661 8.409 0.252 1
1 635 . 5 1 1 A 52 52 ASP HA H 49 4.487 4.038 0.449 1
1 638 . 5 1 1 A 52 52 ASP C C 49 174.065 174.670 -0.605 1
1 639 . 5 1 1 A 52 52 ASP CA C 49 56.042 54.930 1.112 1
1 640 . 5 1 1 A 52 52 ASP CB C 49 41.107 39.682 1.425 1
1 641 . 5 1 1 A 52 52 ASP N N 49 116.477 116.973 -0.496 1
1 642 . 5 1 1 A 53 53 CYS H H 50 7.575 7.327 0.248 1
1 643 . 5 1 1 A 53 53 CYS HA H 50 5.835 5.180 0.655 1
1 646 . 5 1 1 A 53 53 CYS C C 50 173.444 173.253 0.191 1
1 647 . 5 1 1 A 53 53 CYS CA C 50 58.110 57.904 0.206 1
1 648 . 5 1 1 A 53 53 CYS CB C 50 30.700 30.252 0.448 1
1 649 . 5 1 1 A 53 53 CYS N N 50 114.414 117.498 -3.084 1
1 650 . 5 1 1 A 54 54 TYR H H 51 8.806 9.347 -0.541 1
1 651 . 5 1 1 A 54 54 TYR HA H 51 4.737 5.256 -0.519 1
1 658 . 5 1 1 A 54 54 TYR C C 51 172.950 173.868 -0.918 1
1 659 . 5 1 1 A 54 54 TYR CA C 51 56.066 56.119 -0.053 1
1 660 . 5 1 1 A 54 54 TYR CB C 51 42.794 43.377 -0.583 1
1 661 . 5 1 1 A 54 54 TYR N N 51 120.858 120.739 0.119 1
1 662 . 5 1 1 A 55 55 LYS H H 52 8.425 9.156 -0.731 1
1 663 . 5 1 1 A 55 55 LYS HA H 52 5.687 5.281 0.406 1
1 672 . 5 1 1 A 55 55 LYS C C 52 176.498 174.583 1.915 1
1 673 . 5 1 1 A 55 55 LYS CA C 52 53.291 54.323 -1.032 1
1 674 . 5 1 1 A 55 55 LYS CB C 52 36.325 36.076 0.249 1
1 678 . 5 1 1 A 55 55 LYS N N 52 115.794 118.145 -2.351 1
1 679 . 5 1 1 A 56 56 ILE H H 53 9.187 9.010 0.177 1
1 680 . 5 1 1 A 56 56 ILE HA H 53 4.416 4.773 -0.357 1
1 690 . 5 1 1 A 56 56 ILE C C 53 174.572 175.359 -0.787 1
1 691 . 5 1 1 A 56 56 ILE CA C 53 60.971 59.904 1.067 1
1 692 . 5 1 1 A 56 56 ILE CB C 53 41.388 39.736 1.652 1
1 696 . 5 1 1 A 56 56 ILE N N 53 120.315 123.849 -3.534 1
1 697 . 5 1 1 A 57 57 LYS H H 54 8.755 8.893 -0.138 1
1 698 . 5 1 1 A 57 57 LYS HA H 54 5.043 5.003 0.040 1
1 707 . 5 1 1 A 57 57 LYS C C 54 175.193 174.965 0.228 1
1 708 . 5 1 1 A 57 57 LYS CA C 54 54.359 55.286 -0.927 1
1 709 . 5 1 1 A 57 57 LYS CB C 54 35.482 34.502 0.980 1
1 713 . 5 1 1 A 57 57 LYS N N 54 125.616 125.214 0.402 1
1 714 . 5 1 1 A 58 58 LEU H H 55 8.449 9.174 -0.725 1
1 715 . 5 1 1 A 58 58 LEU HA H 55 4.796 4.946 -0.150 1
1 725 . 5 1 1 A 58 58 LEU CA C 55 53.201 54.028 -0.827 1
1 726 . 5 1 1 A 58 58 LEU CB C 55 41.669 43.704 -2.035 1
1 730 . 5 1 1 A 58 58 LEU N N 55 124.214 125.441 -1.227 1
1 731 . 5 1 1 A 59 59 ARG HA H 56 4.008 4.549 -0.541 1
1 738 . 5 1 1 A 59 59 ARG CA C 56 57.420 55.299 2.121 1
1 739 . 5 1 1 A 59 59 ARG CB C 56 29.575 28.573 1.002 1
1 742 . 5 1 1 A 60 60 SER HA H 57 4.246 4.714 -0.468 1
1 745 . 5 1 1 A 60 60 SER CA C 57 59.798 58.767 1.031 1
1 746 . 5 1 1 A 60 60 SER CB C 57 63.045 65.999 -2.954 1
1 747 . 5 1 1 A 61 61 SER HA H 58 4.616 4.606 0.010 1
1 750 . 5 1 1 A 61 61 SER C C 58 175.155 173.297 1.858 1
1 751 . 5 1 1 A 61 61 SER CA C 58 58.010 56.848 1.162 1
1 752 . 5 1 1 A 61 61 SER CB C 58 64.452 65.201 -0.749 1
1 753 . 5 1 1 A 62 62 GLY H H 59 8.217 8.724 -0.507 1
1 754 . 5 1 1 A 62 62 GLY HA2 H 59 3.926 3.683 0.243 1
1 755 . 5 1 1 A 62 62 GLY HA3 H 59 4.010 3.763 0.247 1
1 756 . 5 1 1 A 62 62 GLY C C 59 174.407 173.666 0.741 1
1 757 . 5 1 1 A 62 62 GLY CA C 59 45.888 46.761 -0.873 1
1 758 . 5 1 1 A 62 62 GLY N N 59 109.272 110.876 -1.604 1
1 759 . 5 1 1 A 63 63 TYR H H 60 7.463 8.047 -0.584 1
1 760 . 5 1 1 A 63 63 TYR HA H 60 4.629 5.252 -0.623 1
1 767 . 5 1 1 A 63 63 TYR C C 60 175.117 175.196 -0.079 1
1 768 . 5 1 1 A 63 63 TYR CA C 60 59.857 57.166 2.691 1
1 769 . 5 1 1 A 63 63 TYR CB C 60 41.388 41.171 0.217 1
1 770 . 5 1 1 A 63 63 TYR N N 60 117.638 119.751 -2.113 1
1 771 . 5 1 1 A 64 64 ARG H H 61 9.261 9.627 -0.366 1
1 772 . 5 1 1 A 64 64 ARG HA H 61 5.458 5.417 0.041 1
1 779 . 5 1 1 A 64 64 ARG C C 61 173.596 173.914 -0.318 1
1 780 . 5 1 1 A 64 64 ARG CA C 61 53.880 54.544 -0.664 1
1 781 . 5 1 1 A 64 64 ARG CB C 61 34.357 33.954 0.403 1
1 784 . 5 1 1 A 64 64 ARG N N 61 119.605 120.127 -0.522 1
1 785 . 5 1 1 A 65 65 LEU H H 62 9.085 9.228 -0.143 1
1 786 . 5 1 1 A 65 65 LEU HA H 62 5.432 5.288 0.144 1
1 796 . 5 1 1 A 65 65 LEU C C 62 174.534 174.540 -0.006 1
1 797 . 5 1 1 A 65 65 LEU CA C 62 53.795 53.521 0.274 1
1 798 . 5 1 1 A 65 65 LEU CB C 62 46.732 45.643 1.089 1
1 802 . 5 1 1 A 65 65 LEU N N 62 125.189 123.203 1.986 1
1 803 . 5 1 1 A 66 66 VAL H H 63 9.058 9.122 -0.064 1
1 804 . 5 1 1 A 66 66 VAL HA H 63 4.991 4.890 0.101 1
1 812 . 5 1 1 A 66 66 VAL C C 63 174.699 175.248 -0.549 1
1 813 . 5 1 1 A 66 66 VAL CA C 63 60.795 60.715 0.080 1
1 814 . 5 1 1 A 66 66 VAL CB C 63 34.075 32.972 1.103 1
1 817 . 5 1 1 A 66 66 VAL N N 63 125.140 126.344 -1.204 1
1 818 . 5 1 1 A 67 67 TYR H H 64 9.091 9.014 0.077 1
1 819 . 5 1 1 A 67 67 TYR HA H 64 5.659 5.531 0.128 1
1 826 . 5 1 1 A 67 67 TYR C C 64 170.910 173.088 -2.178 1
1 827 . 5 1 1 A 67 67 TYR CA C 64 54.286 55.082 -0.796 1
1 828 . 5 1 1 A 67 67 TYR CB C 64 41.951 42.018 -0.067 1
1 829 . 5 1 1 A 67 67 TYR N N 64 124.150 124.107 0.043 1
1 830 . 5 1 1 A 68 68 GLN H H 65 9.814 9.384 0.430 1
1 831 . 5 1 1 A 68 68 GLN HA H 65 5.510 5.235 0.275 1
1 838 . 5 1 1 A 68 68 GLN C C 65 175.725 174.736 0.989 1
1 839 . 5 1 1 A 68 68 GLN CA C 65 53.092 54.521 -1.429 1
1 840 . 5 1 1 A 68 68 GLN CB C 65 32.600 31.535 1.065 1
1 842 . 5 1 1 A 68 68 GLN N N 65 123.050 119.147 3.903 1
1 844 . 5 1 1 A 69 69 VAL H H 66 9.198 9.214 -0.016 1
1 845 . 5 1 1 A 69 69 VAL HA H 66 4.369 4.514 -0.145 1
1 853 . 5 1 1 A 69 69 VAL C C 66 175.357 175.026 0.331 1
1 854 . 5 1 1 A 69 69 VAL CA C 66 63.045 62.013 1.032 1
1 855 . 5 1 1 A 69 69 VAL CB C 66 32.669 32.763 -0.094 1
1 858 . 5 1 1 A 69 69 VAL N N 66 127.343 124.122 3.221 1
1 859 . 5 1 1 A 70 70 ILE H H 67 9.241 9.353 -0.112 1
1 860 . 5 1 1 A 70 70 ILE HA H 67 4.471 4.423 0.048 1
1 870 . 5 1 1 A 70 70 ILE C C 67 177.081 176.035 1.046 1
1 871 . 5 1 1 A 70 70 ILE CA C 67 59.716 60.853 -1.137 1
1 872 . 5 1 1 A 70 70 ILE CB C 67 37.169 37.082 0.087 1
1 876 . 5 1 1 A 70 70 ILE N N 67 129.254 127.409 1.845 1
1 877 . 5 1 1 A 71 71 ASP H H 68 9.374 8.694 0.680 1
1 878 . 5 1 1 A 71 71 ASP HA H 68 4.574 4.337 0.237 1
1 881 . 5 1 1 A 71 71 ASP C C 68 179.868 178.262 1.606 1
1 882 . 5 1 1 A 71 71 ASP CA C 68 58.797 58.212 0.585 1
1 883 . 5 1 1 A 71 71 ASP CB C 68 40.544 40.762 -0.218 1
1 884 . 5 1 1 A 71 71 ASP N N 68 129.133 129.051 0.082 1
1 885 . 5 1 1 A 72 72 GLU H H 69 9.631 8.248 1.383 1
1 886 . 5 1 1 A 72 72 GLU HA H 69 4.088 4.144 -0.056 1
1 891 . 5 1 1 A 72 72 GLU C C 69 176.865 177.799 -0.934 1
1 892 . 5 1 1 A 72 72 GLU CA C 69 59.670 59.436 0.234 1
1 893 . 5 1 1 A 72 72 GLU CB C 69 29.100 29.338 -0.238 1
1 895 . 5 1 1 A 72 72 GLU N N 69 118.880 119.167 -0.287 1
1 896 . 5 1 1 A 73 73 LYS H H 70 6.582 7.692 -1.110 1
1 897 . 5 1 1 A 73 73 LYS HA H 70 4.474 4.408 0.066 1
1 906 . 5 1 1 A 73 73 LYS C C 70 173.964 175.451 -1.487 1
1 907 . 5 1 1 A 73 73 LYS CA C 70 54.604 55.629 -1.025 1
1 908 . 5 1 1 A 73 73 LYS CB C 70 34.075 33.410 0.665 1
1 912 . 5 1 1 A 73 73 LYS N N 70 114.014 117.567 -3.553 1
1 913 . 5 1 1 A 74 74 VAL H H 71 7.791 7.723 0.068 1
1 914 . 5 1 1 A 74 74 VAL HA H 71 2.948 3.772 -0.824 1
1 922 . 5 1 1 A 74 74 VAL C C 71 173.381 174.333 -0.952 1
1 923 . 5 1 1 A 74 74 VAL CA C 71 63.045 63.700 -0.655 1
1 924 . 5 1 1 A 74 74 VAL CB C 71 29.013 29.516 -0.503 1
1 927 . 5 1 1 A 74 74 VAL N N 71 119.301 116.498 2.803 1
1 928 . 5 1 1 A 75 75 VAL H H 72 7.736 7.931 -0.195 1
1 929 . 5 1 1 A 75 75 VAL HA H 72 5.159 5.045 0.114 1
1 937 . 5 1 1 A 75 75 VAL C C 72 175.028 173.639 1.389 1
1 938 . 5 1 1 A 75 75 VAL CA C 72 59.839 60.302 -0.463 1
1 939 . 5 1 1 A 75 75 VAL CB C 72 37.732 35.674 2.058 1
1 942 . 5 1 1 A 75 75 VAL N N 72 116.865 119.908 -3.043 1
1 943 . 5 1 1 A 76 76 VAL H H 73 9.006 9.384 -0.378 1
1 944 . 5 1 1 A 76 76 VAL HA H 73 4.190 4.605 -0.415 1
1 952 . 5 1 1 A 76 76 VAL C C 73 172.177 174.566 -2.389 1
1 953 . 5 1 1 A 76 76 VAL CA C 73 62.473 60.913 1.560 1
1 954 . 5 1 1 A 76 76 VAL CB C 73 32.388 32.622 -0.234 1
1 957 . 5 1 1 A 76 76 VAL N N 73 128.675 128.213 0.462 1
1 958 . 5 1 1 A 77 77 PHE H H 74 9.468 9.420 0.048 1
1 959 . 5 1 1 A 77 77 PHE HA H 74 5.019 5.400 -0.381 1
1 966 . 5 1 1 A 77 77 PHE C C 74 174.420 173.955 0.465 1
1 967 . 5 1 1 A 77 77 PHE CA C 74 54.378 55.294 -0.916 1
1 968 . 5 1 1 A 77 77 PHE CB C 74 42.230 40.928 1.302 1
1 969 . 5 1 1 A 77 77 PHE N N 74 130.014 128.496 1.518 1
1 970 . 5 1 1 A 78 78 VAL H H 75 8.990 8.869 0.121 1
1 971 . 5 1 1 A 78 78 VAL HA H 75 3.645 4.012 -0.367 1
1 979 . 5 1 1 A 78 78 VAL C C 75 174.813 175.382 -0.569 1
1 980 . 5 1 1 A 78 78 VAL CA C 75 64.452 63.456 0.996 1
1 981 . 5 1 1 A 78 78 VAL CB C 75 31.009 31.146 -0.137 1
1 984 . 5 1 1 A 78 78 VAL N N 75 128.474 127.319 1.155 1
1 985 . 5 1 1 A 79 79 ILE H H 76 8.679 9.118 -0.439 1
1 986 . 5 1 1 A 79 79 ILE HA H 76 4.171 4.125 0.046 1
1 996 . 5 1 1 A 79 79 ILE C C 76 176.092 175.861 0.231 1
1 997 . 5 1 1 A 79 79 ILE CA C 76 61.635 62.287 -0.652 1
1 998 . 5 1 1 A 79 79 ILE CB C 76 39.982 38.629 1.353 1
1 1002 . 5 1 1 A 79 79 ILE N N 76 122.334 128.836 -6.502 1
1 1003 . 5 1 1 A 80 80 SER H H 77 7.614 7.816 -0.202 1
1 1004 . 5 1 1 A 80 80 SER HA H 77 4.724 5.082 -0.358 1
1 1007 . 5 1 1 A 80 80 SER C C 77 172.545 172.138 0.407 1
1 1008 . 5 1 1 A 80 80 SER CA C 77 57.849 57.799 0.050 1
1 1009 . 5 1 1 A 80 80 SER CB C 77 64.733 67.059 -2.326 1
1 1010 . 5 1 1 A 80 80 SER N N 77 113.369 114.456 -1.087 1
1 1011 . 5 1 1 A 81 81 VAL H H 78 8.814 8.706 0.108 1
1 1012 . 5 1 1 A 81 81 VAL HA H 78 5.102 5.063 0.039 1
1 1020 . 5 1 1 A 81 81 VAL C C 78 173.761 174.548 -0.787 1
1 1021 . 5 1 1 A 81 81 VAL CA C 78 61.004 59.781 1.223 1
1 1022 . 5 1 1 A 81 81 VAL CB C 78 34.638 35.713 -1.075 1
1 1025 . 5 1 1 A 81 81 VAL N N 78 123.792 121.711 2.081 1
1 1026 . 5 1 1 A 82 82 GLY H H 79 8.628 8.444 0.184 1
1 1027 . 5 1 1 A 82 82 GLY HA2 H 79 4.365 4.342 0.023 1
1 1028 . 5 1 1 A 82 82 GLY HA3 H 79 4.214 4.444 -0.230 1
1 1029 . 5 1 1 A 82 82 GLY C C 79 171.201 172.165 -0.964 1
1 1030 . 5 1 1 A 82 82 GLY CA C 79 45.606 44.981 0.625 1
1 1031 . 5 1 1 A 82 82 GLY N N 79 111.112 113.796 -2.684 1
1 1032 . 5 1 1 A 83 83 LYS H H 80 8.670 8.399 0.271 1
1 1033 . 5 1 1 A 83 83 LYS HA H 80 4.205 4.832 -0.627 1
1 1042 . 5 1 1 A 83 83 LYS C C 80 176.080 175.732 0.348 1
1 1043 . 5 1 1 A 83 83 LYS CA C 80 55.451 54.684 0.767 1
1 1044 . 5 1 1 A 83 83 LYS CB C 80 32.665 34.470 -1.805 1
1 1048 . 5 1 1 A 83 83 LYS N N 80 120.943 122.349 -1.406 1
1 1049 . 5 1 1 A 84 84 ALA H H 81 8.049 8.386 -0.337 1
1 1050 . 5 1 1 A 84 84 ALA HA H 81 4.182 4.704 -0.522 1
1 1054 . 5 1 1 A 84 84 ALA C C 81 176.941 177.349 -0.408 1
1 1055 . 5 1 1 A 84 84 ALA CA C 81 52.248 51.290 0.958 1
1 1056 . 5 1 1 A 84 84 ALA CB C 81 19.450 20.383 -0.933 1
1 1057 . 5 1 1 A 84 84 ALA N N 81 125.262 122.954 2.308 1
1 1058 . 5 1 1 A 85 85 GLU H H 82 8.460 8.896 -0.436 1
1 1059 . 5 1 1 A 85 85 GLU HA H 82 4.230 4.076 0.154 1
1 1064 . 5 1 1 A 85 85 GLU C C 82 176.599 177.169 -0.570 1
1 1065 . 5 1 1 A 85 85 GLU CA C 82 56.446 58.748 -2.302 1
1 1066 . 5 1 1 A 85 85 GLU CB C 82 29.853 30.027 -0.174 1
1 1068 . 5 1 1 A 85 85 GLU N N 82 119.296 124.243 -4.947 1
1 1069 . 5 1 1 A 86 86 ALA H H 83 8.403 8.214 0.189 1
1 1070 . 5 1 1 A 86 86 ALA HA H 83 4.149 4.559 -0.410 1
1 1074 . 5 1 1 A 86 86 ALA C C 83 177.777 178.353 -0.576 1
1 1075 . 5 1 1 A 86 86 ALA CA C 83 53.448 53.417 0.031 1
1 1076 . 5 1 1 A 86 86 ALA CB C 83 18.887 20.725 -1.838 1
1 1077 . 5 1 1 A 86 86 ALA N N 83 124.833 118.960 5.873 1
1 1078 . 5 1 1 A 87 87 SER H H 84 8.301 8.158 0.143 1
1 1079 . 5 1 1 A 87 87 SER HA H 84 4.297 4.839 -0.542 1
1 1082 . 5 1 1 A 87 87 SER C C 84 175.370 175.745 -0.375 1
1 1083 . 5 1 1 A 87 87 SER N N 84 113.395 108.579 4.816 1
1 1084 . 5 1 1 A 88 88 GLU H H 85 8.271 8.115 0.156 1
1 1085 . 5 1 1 A 88 88 GLU HA H 85 4.239 3.978 0.261 1
1 1090 . 5 1 1 A 88 88 GLU C C 85 177.081 178.831 -1.750 1
1 1091 . 5 1 1 A 88 88 GLU CA C 85 57.140 59.335 -2.195 1
1 1092 . 5 1 1 A 88 88 GLU CB C 85 29.856 29.757 0.099 1
1 1094 . 5 1 1 A 88 88 GLU N N 85 122.554 122.402 0.152 1
1 1095 . 5 1 1 A 89 89 VAL H H 86 7.833 7.888 -0.055 1
1 1096 . 5 1 1 A 89 89 VAL HA H 86 3.895 3.849 0.046 1
1 1104 . 5 1 1 A 89 89 VAL C C 86 177.172 177.766 -0.594 1
1 1105 . 5 1 1 A 89 89 VAL CA C 86 63.045 65.650 -2.605 1
1 1106 . 5 1 1 A 89 89 VAL CB C 86 32.107 31.259 0.848 1
1 1109 . 5 1 1 A 89 89 VAL N N 86 119.916 118.252 1.664 1
1 1110 . 5 1 1 A 90 90 TYR H H 87 8.142 7.987 0.155 1
1 1111 . 5 1 1 A 90 90 TYR HA H 87 4.479 4.151 0.328 1
1 1118 . 5 1 1 A 90 90 TYR C C 87 176.637 178.141 -1.504 1
1 1119 . 5 1 1 A 90 90 TYR CA C 87 58.545 60.855 -2.310 1
1 1120 . 5 1 1 A 90 90 TYR CB C 87 37.732 37.732 0.000 1
1 1121 . 5 1 1 A 90 90 TYR N N 87 122.303 121.920 0.383 1
1 1122 . 5 1 1 A 91 91 SER H H 88 8.090 8.390 -0.300 1
1 1123 . 5 1 1 A 91 91 SER HA H 88 4.335 4.194 0.141 1
1 1126 . 5 1 1 A 91 91 SER C C 88 176.130 176.885 -0.755 1
1 1127 . 5 1 1 A 91 91 SER CA C 88 59.899 62.160 -2.261 1
1 1128 . 5 1 1 A 91 91 SER CB C 88 62.483 62.692 -0.209 1
1 1129 . 5 1 1 A 91 91 SER N N 88 115.828 116.003 -0.175 1
1 1130 . 5 1 1 A 92 92 GLU H H 89 8.234 7.422 0.812 1
1 1131 . 5 1 1 A 92 92 GLU HA H 89 4.213 4.057 0.156 1
1 1136 . 5 1 1 A 92 92 GLU C C 89 177.600 179.284 -1.684 1
1 1137 . 5 1 1 A 92 92 GLU CA C 89 57.701 58.698 -0.997 1
1 1138 . 5 1 1 A 92 92 GLU CB C 89 29.575 28.822 0.753 1
1 1140 . 5 1 1 A 92 92 GLU N N 89 121.225 121.637 -0.412 1
1 1141 . 5 1 1 A 93 93 ALA H H 90 7.960 7.918 0.042 1
1 1142 . 5 1 1 A 93 93 ALA HA H 90 4.025 4.125 -0.100 1
1 1146 . 5 1 1 A 93 93 ALA C C 90 178.550 179.721 -1.171 1
1 1147 . 5 1 1 A 93 93 ALA CA C 90 54.225 55.099 -0.874 1
1 1148 . 5 1 1 A 93 93 ALA CB C 90 18.325 18.443 -0.118 1
1 1149 . 5 1 1 A 93 93 ALA N N 90 122.055 123.304 -1.249 1
1 1150 . 5 1 1 A 94 94 VAL H H 91 7.799 8.309 -0.510 1
1 1151 . 5 1 1 A 94 94 VAL HA H 91 3.818 3.853 -0.035 1
1 1159 . 5 1 1 A 94 94 VAL CA C 91 64.167 64.819 -0.652 1
1 1160 . 5 1 1 A 94 94 VAL CB C 91 31.825 31.375 0.450 1
1 1163 . 5 1 1 A 94 94 VAL N N 91 115.727 116.913 -1.186 1
1 1164 . 5 1 1 A 95 95 LYS H H 92 7.764 8.004 -0.240 1
1 1165 . 5 1 1 A 95 95 LYS HA H 92 4.197 4.272 -0.075 1
1 1174 . 5 1 1 A 95 95 LYS C C 92 177.600 178.693 -1.093 1
1 1175 . 5 1 1 A 95 95 LYS CA C 92 57.139 58.589 -1.450 1
1 1176 . 5 1 1 A 95 95 LYS CB C 92 32.600 32.267 0.333 1
1 1180 . 5 1 1 A 95 95 LYS N N 92 120.823 122.284 -1.461 1
1 1181 . 5 1 1 A 96 96 ARG H H 93 7.970 7.628 0.342 1
1 1182 . 5 1 1 A 96 96 ARG HA H 93 4.341 4.178 0.163 1
1 1189 . 5 1 1 A 96 96 ARG C C 93 179.703 178.937 0.766 1
1 1190 . 5 1 1 A 96 96 ARG CA C 93 56.295 58.480 -2.185 1
1 1191 . 5 1 1 A 96 96 ARG CB C 93 31.400 29.849 1.551 1
1 1194 . 5 1 1 A 96 96 ARG N N 93 119.070 120.363 -1.293 1
1 1195 . 5 1 1 A 97 97 ILE H H 94 8.012 7.738 0.274 1
1 1196 . 5 1 1 A 97 97 ILE HA H 94 4.216 3.831 0.385 1
1 1206 . 5 1 1 A 97 97 ILE C C 94 175.509 178.311 -2.802 1
1 1207 . 5 1 1 A 97 97 ILE CA C 94 61.362 65.005 -3.643 1
1 1208 . 5 1 1 A 97 97 ILE CB C 94 38.576 38.463 0.113 1
1 1212 . 5 1 1 A 97 97 ILE N N 94 120.512 120.227 0.285 1
1 16 . 6 1 1 A 5 5 ALA H H 2 8.084 8.492 -0.408 1
1 17 . 6 1 1 A 5 5 ALA HA H 2 4.423 5.414 -0.991 1
1 21 . 6 1 1 A 5 5 ALA C C 2 176.536 175.206 1.330 1
1 22 . 6 1 1 A 5 5 ALA CA C 2 51.634 50.608 1.026 1
1 23 . 6 1 1 A 5 5 ALA CB C 2 19.439 22.908 -3.469 1
1 24 . 6 1 1 A 5 5 ALA N N 2 125.284 125.334 -0.050 1
1 25 . 6 1 1 A 6 6 TYR H H 3 8.406 8.839 -0.433 1
1 26 . 6 1 1 A 6 6 TYR HA H 3 4.312 4.781 -0.469 1
1 33 . 6 1 1 A 6 6 TYR C C 3 175.433 175.207 0.226 1
1 34 . 6 1 1 A 6 6 TYR CA C 3 57.701 56.494 1.207 1
1 35 . 6 1 1 A 6 6 TYR CB C 3 39.701 41.712 -2.011 1
1 36 . 6 1 1 A 6 6 TYR N N 3 120.887 119.922 0.965 1
1 37 . 6 1 1 A 7 7 PHE H H 4 8.703 9.258 -0.555 1
1 38 . 6 1 1 A 7 7 PHE HA H 4 4.645 4.995 -0.350 1
1 45 . 6 1 1 A 7 7 PHE C C 4 173.812 174.680 -0.868 1
1 46 . 6 1 1 A 7 7 PHE CA C 4 56.853 57.617 -0.764 1
1 47 . 6 1 1 A 7 7 PHE CB C 4 40.541 41.243 -0.702 1
1 48 . 6 1 1 A 7 7 PHE N N 4 119.295 119.678 -0.383 1
1 49 . 6 1 1 A 8 8 LEU H H 5 8.255 8.688 -0.433 1
1 50 . 6 1 1 A 8 8 LEU HA H 5 4.985 5.301 -0.316 1
1 60 . 6 1 1 A 8 8 LEU C C 5 174.927 174.353 0.574 1
1 61 . 6 1 1 A 8 8 LEU CA C 5 53.544 53.323 0.221 1
1 62 . 6 1 1 A 8 8 LEU CB C 5 44.201 46.111 -1.910 1
1 66 . 6 1 1 A 8 8 LEU N N 5 124.516 122.552 1.964 1
1 67 . 6 1 1 A 9 9 ASP H H 6 9.047 8.543 0.504 1
1 68 . 6 1 1 A 9 9 ASP HA H 6 5.089 5.146 -0.057 1
1 71 . 6 1 1 A 9 9 ASP C C 6 173.216 173.935 -0.719 1
1 72 . 6 1 1 A 9 9 ASP CA C 6 52.278 52.805 -0.527 1
1 73 . 6 1 1 A 9 9 ASP CB C 6 45.326 44.913 0.413 1
1 74 . 6 1 1 A 9 9 ASP N N 6 126.171 123.781 2.390 1
1 75 . 6 1 1 A 10 10 PHE H H 7 8.891 8.596 0.295 1
1 76 . 6 1 1 A 10 10 PHE HA H 7 4.545 4.514 0.031 1
1 83 . 6 1 1 A 10 10 PHE C C 7 175.218 174.463 0.755 1
1 84 . 6 1 1 A 10 10 PHE CA C 7 56.243 55.607 0.636 1
1 85 . 6 1 1 A 10 10 PHE CB C 7 43.638 41.795 1.843 1
1 86 . 6 1 1 A 10 10 PHE N N 7 119.178 120.088 -0.910 1
1 87 . 6 1 1 A 11 11 ASP H H 8 8.124 8.459 -0.335 1
1 88 . 6 1 1 A 11 11 ASP HA H 8 4.551 4.755 -0.204 1
1 91 . 6 1 1 A 11 11 ASP C C 8 177.157 177.352 -0.195 1
1 92 . 6 1 1 A 11 11 ASP CA C 8 54.315 54.376 -0.061 1
1 93 . 6 1 1 A 11 11 ASP CB C 8 44.201 42.780 1.421 1
1 94 . 6 1 1 A 11 11 ASP N N 8 123.305 123.489 -0.184 1
1 95 . 6 1 1 A 12 12 GLU H H 9 9.197 9.057 0.140 1
1 96 . 6 1 1 A 12 12 GLU HA H 9 4.016 4.107 -0.091 1
1 101 . 6 1 1 A 12 12 GLU C C 9 178.880 178.761 0.119 1
1 102 . 6 1 1 A 12 12 GLU CA C 9 60.365 59.193 1.172 1
1 103 . 6 1 1 A 12 12 GLU CB C 9 29.670 29.184 0.486 1
1 105 . 6 1 1 A 12 12 GLU N N 9 127.082 123.140 3.942 1
1 106 . 6 1 1 A 13 13 ARG H H 10 8.949 8.286 0.663 1
1 107 . 6 1 1 A 13 13 ARG HA H 10 4.097 4.122 -0.025 1
1 114 . 6 1 1 A 13 13 ARG C C 10 179.273 179.195 0.078 1
1 115 . 6 1 1 A 13 13 ARG CA C 10 58.924 58.803 0.121 1
1 116 . 6 1 1 A 13 13 ARG CB C 10 30.138 30.587 -0.449 1
1 119 . 6 1 1 A 13 13 ARG N N 10 119.265 119.741 -0.476 1
1 120 . 6 1 1 A 14 14 ALA H H 11 7.451 8.221 -0.770 1
1 121 . 6 1 1 A 14 14 ALA HA H 11 4.685 4.208 0.477 1
1 125 . 6 1 1 A 14 14 ALA C C 11 179.564 179.999 -0.435 1
1 126 . 6 1 1 A 14 14 ALA CA C 11 53.705 55.049 -1.344 1
1 127 . 6 1 1 A 14 14 ALA CB C 11 18.325 18.566 -0.241 1
1 128 . 6 1 1 A 14 14 ALA N N 11 122.421 121.130 1.291 1
1 129 . 6 1 1 A 15 15 LEU H H 12 8.683 8.175 0.508 1
1 130 . 6 1 1 A 15 15 LEU HA H 12 3.877 3.832 0.045 1
1 140 . 6 1 1 A 15 15 LEU C C 12 178.550 179.608 -1.058 1
1 141 . 6 1 1 A 15 15 LEU CA C 12 57.139 57.566 -0.427 1
1 142 . 6 1 1 A 15 15 LEU CB C 12 41.103 41.026 0.077 1
1 146 . 6 1 1 A 15 15 LEU N N 12 120.118 119.203 0.915 1
1 147 . 6 1 1 A 16 16 LYS H H 13 7.345 7.787 -0.442 1
1 148 . 6 1 1 A 16 16 LYS HA H 13 3.995 3.980 0.015 1
1 157 . 6 1 1 A 16 16 LYS C C 13 179.678 179.860 -0.182 1
1 158 . 6 1 1 A 16 16 LYS CA C 13 59.700 60.373 -0.673 1
1 159 . 6 1 1 A 16 16 LYS CB C 13 32.388 32.088 0.300 1
1 163 . 6 1 1 A 16 16 LYS N N 13 117.725 118.219 -0.494 1
1 164 . 6 1 1 A 17 17 GLU H H 14 7.453 8.034 -0.581 1
1 165 . 6 1 1 A 17 17 GLU HA H 14 4.016 4.114 -0.098 1
1 170 . 6 1 1 A 17 17 GLU C C 14 179.589 179.048 0.541 1
1 171 . 6 1 1 A 17 17 GLU CA C 14 58.841 59.115 -0.274 1
1 172 . 6 1 1 A 17 17 GLU CB C 14 29.298 29.398 -0.100 1
1 174 . 6 1 1 A 17 17 GLU N N 14 118.019 119.784 -1.765 1
1 175 . 6 1 1 A 18 18 TRP H H 15 9.081 8.621 0.460 1
1 176 . 6 1 1 A 18 18 TRP HA H 15 4.174 4.200 -0.026 1
1 183 . 6 1 1 A 18 18 TRP C C 15 178.360 178.173 0.187 1
1 184 . 6 1 1 A 18 18 TRP CA C 15 59.938 61.029 -1.091 1
1 185 . 6 1 1 A 18 18 TRP CB C 15 30.241 29.540 0.701 1
1 186 . 6 1 1 A 18 18 TRP N N 15 122.628 121.780 0.848 1
1 188 . 6 1 1 A 19 19 ARG H H 16 8.197 8.205 -0.008 1
1 189 . 6 1 1 A 19 19 ARG HA H 16 3.863 4.120 -0.257 1
1 196 . 6 1 1 A 19 19 ARG C C 16 177.030 179.001 -1.971 1
1 197 . 6 1 1 A 19 19 ARG CA C 16 58.516 58.766 -0.250 1
1 198 . 6 1 1 A 19 19 ARG CB C 16 30.300 29.970 0.330 1
1 201 . 6 1 1 A 19 19 ARG N N 16 115.582 118.544 -2.962 1
1 202 . 6 1 1 A 20 20 LYS H H 17 7.308 7.585 -0.277 1
1 203 . 6 1 1 A 20 20 LYS HA H 17 4.238 4.112 0.126 1
1 212 . 6 1 1 A 20 20 LYS C C 17 177.043 177.218 -0.175 1
1 213 . 6 1 1 A 20 20 LYS CA C 17 56.270 59.182 -2.912 1
1 214 . 6 1 1 A 20 20 LYS CB C 17 32.300 32.259 0.041 1
1 218 . 6 1 1 A 20 20 LYS N N 17 116.689 119.477 -2.788 1
1 219 . 6 1 1 A 21 21 LEU H H 18 6.998 7.798 -0.800 1
1 220 . 6 1 1 A 21 21 LEU HA H 18 4.026 4.088 -0.062 1
1 230 . 6 1 1 A 21 21 LEU C C 18 177.676 177.382 0.294 1
1 231 . 6 1 1 A 21 21 LEU CA C 18 54.567 55.380 -0.813 1
1 232 . 6 1 1 A 21 21 LEU CB C 18 43.357 42.178 1.179 1
1 236 . 6 1 1 A 21 21 LEU N N 18 118.778 120.861 -2.083 1
1 237 . 6 1 1 A 22 22 GLY H H 19 8.370 8.359 0.011 1
1 238 . 6 1 1 A 22 22 GLY HA2 H 19 4.064 3.950 0.114 1
1 239 . 6 1 1 A 22 22 GLY HA3 H 19 3.845 3.965 -0.120 1
1 240 . 6 1 1 A 22 22 GLY C C 19 174.813 174.687 0.126 1
1 241 . 6 1 1 A 22 22 GLY CA C 19 45.045 45.279 -0.234 1
1 242 . 6 1 1 A 22 22 GLY N N 19 107.490 110.049 -2.559 1
1 243 . 6 1 1 A 23 23 SER H H 20 8.675 8.701 -0.026 1
1 244 . 6 1 1 A 23 23 SER HA H 20 4.288 3.930 0.358 1
1 247 . 6 1 1 A 23 23 SER CA C 20 58.981 62.502 -3.521 1
1 248 . 6 1 1 A 23 23 SER CB C 20 63.045 62.684 0.361 1
1 249 . 6 1 1 A 23 23 SER N N 20 117.877 117.644 0.233 1
1 250 . 6 1 1 A 24 24 THR H H 21 8.216 7.876 0.340 1
1 251 . 6 1 1 A 24 24 THR HA H 21 3.983 3.966 0.017 1
1 256 . 6 1 1 A 24 24 THR C C 21 176.510 176.833 -0.323 1
1 257 . 6 1 1 A 24 24 THR CA C 21 65.858 66.304 -0.446 1
1 258 . 6 1 1 A 24 24 THR CB C 21 67.941 68.152 -0.211 1
1 260 . 6 1 1 A 24 24 THR N N 21 115.680 117.512 -1.832 1
1 261 . 6 1 1 A 25 25 VAL H H 22 7.143 7.865 -0.722 1
1 262 . 6 1 1 A 25 25 VAL HA H 22 3.545 3.370 0.175 1
1 270 . 6 1 1 A 25 25 VAL C C 22 177.613 177.668 -0.055 1
1 271 . 6 1 1 A 25 25 VAL CA C 22 65.577 66.653 -1.076 1
1 272 . 6 1 1 A 25 25 VAL CB C 22 31.544 31.170 0.374 1
1 275 . 6 1 1 A 25 25 VAL N N 22 122.443 121.832 0.611 1
1 276 . 6 1 1 A 26 26 ARG H H 23 7.840 8.280 -0.440 1
1 277 . 6 1 1 A 26 26 ARG HA H 23 3.156 3.754 -0.598 1
1 284 . 6 1 1 A 26 26 ARG C C 23 177.790 178.245 -0.455 1
1 285 . 6 1 1 A 26 26 ARG CA C 23 59.951 58.502 1.449 1
1 286 . 6 1 1 A 26 26 ARG CB C 23 29.590 29.016 0.574 1
1 289 . 6 1 1 A 26 26 ARG N N 23 119.146 119.868 -0.722 1
1 290 . 6 1 1 A 27 27 GLU H H 24 8.159 8.469 -0.310 1
1 291 . 6 1 1 A 27 27 GLU HA H 24 3.970 4.056 -0.086 1
1 296 . 6 1 1 A 27 27 GLU C C 24 179.577 179.206 0.371 1
1 297 . 6 1 1 A 27 27 GLU CA C 24 59.400 59.051 0.349 1
1 298 . 6 1 1 A 27 27 GLU CB C 24 29.013 28.922 0.091 1
1 300 . 6 1 1 A 27 27 GLU N N 24 116.672 118.516 -1.844 1
1 301 . 6 1 1 A 28 28 GLN H H 25 7.693 7.746 -0.053 1
1 302 . 6 1 1 A 28 28 GLN HA H 25 4.094 3.953 0.141 1
1 309 . 6 1 1 A 28 28 GLN C C 25 179.919 179.096 0.823 1
1 310 . 6 1 1 A 28 28 GLN CA C 25 59.108 58.835 0.273 1
1 311 . 6 1 1 A 28 28 GLN CB C 25 29.575 27.991 1.584 1
1 313 . 6 1 1 A 28 28 GLN N N 25 118.482 119.040 -0.558 1
1 315 . 6 1 1 A 29 29 LEU H H 26 8.441 7.956 0.485 1
1 316 . 6 1 1 A 29 29 LEU HA H 26 4.096 4.144 -0.048 1
1 326 . 6 1 1 A 29 29 LEU C C 26 178.804 179.326 -0.522 1
1 327 . 6 1 1 A 29 29 LEU CA C 26 57.983 58.074 -0.091 1
1 328 . 6 1 1 A 29 29 LEU CB C 26 42.513 41.368 1.145 1
1 332 . 6 1 1 A 29 29 LEU N N 26 119.907 120.164 -0.257 1
1 333 . 6 1 1 A 30 30 LYS H H 27 9.233 8.771 0.462 1
1 334 . 6 1 1 A 30 30 LYS HA H 27 4.076 4.200 -0.124 1
1 343 . 6 1 1 A 30 30 LYS C C 27 178.056 178.715 -0.659 1
1 344 . 6 1 1 A 30 30 LYS CA C 27 60.233 59.732 0.501 1
1 345 . 6 1 1 A 30 30 LYS CB C 27 32.103 32.694 -0.591 1
1 349 . 6 1 1 A 30 30 LYS N N 27 120.508 120.385 0.123 1
1 350 . 6 1 1 A 31 31 LYS H H 28 7.698 8.063 -0.365 1
1 351 . 6 1 1 A 31 31 LYS HA H 28 4.056 4.106 -0.050 1
1 360 . 6 1 1 A 31 31 LYS C C 28 179.539 179.409 0.130 1
1 361 . 6 1 1 A 31 31 LYS CA C 28 59.596 59.851 -0.255 1
1 362 . 6 1 1 A 31 31 LYS CB C 28 32.400 32.327 0.073 1
1 366 . 6 1 1 A 31 31 LYS N N 28 117.412 118.268 -0.856 1
1 367 . 6 1 1 A 32 32 LYS H H 29 7.347 7.707 -0.360 1
1 368 . 6 1 1 A 32 32 LYS HA H 29 4.230 4.073 0.157 1
1 377 . 6 1 1 A 32 32 LYS C C 29 179.057 179.541 -0.484 1
1 378 . 6 1 1 A 32 32 LYS CA C 29 57.553 59.437 -1.884 1
1 379 . 6 1 1 A 32 32 LYS CB C 29 32.103 32.174 -0.071 1
1 383 . 6 1 1 A 32 32 LYS N N 29 116.983 120.241 -3.258 1
1 384 . 6 1 1 A 33 33 LEU H H 30 8.663 8.154 0.509 1
1 385 . 6 1 1 A 33 33 LEU HA H 30 3.844 3.985 -0.141 1
1 395 . 6 1 1 A 33 33 LEU C C 30 177.765 179.118 -1.353 1
1 396 . 6 1 1 A 33 33 LEU CA C 30 57.420 57.957 -0.537 1
1 397 . 6 1 1 A 33 33 LEU CB C 30 42.513 41.689 0.824 1
1 401 . 6 1 1 A 33 33 LEU N N 30 121.134 120.184 0.950 1
1 402 . 6 1 1 A 34 34 VAL H H 31 8.185 8.520 -0.335 1
1 403 . 6 1 1 A 34 34 VAL HA H 31 3.548 3.718 -0.170 1
1 411 . 6 1 1 A 34 34 VAL C C 31 178.639 177.572 1.067 1
1 412 . 6 1 1 A 34 34 VAL CA C 31 66.702 65.481 1.221 1
1 413 . 6 1 1 A 34 34 VAL CB C 31 31.544 31.145 0.399 1
1 416 . 6 1 1 A 34 34 VAL N N 31 117.076 119.402 -2.326 1
1 417 . 6 1 1 A 35 35 GLU H H 32 7.143 8.072 -0.929 1
1 418 . 6 1 1 A 35 35 GLU HA H 32 4.093 4.078 0.015 1
1 423 . 6 1 1 A 35 35 GLU C C 32 179.450 178.759 0.691 1
1 424 . 6 1 1 A 35 35 GLU CA C 32 58.264 59.084 -0.820 1
1 425 . 6 1 1 A 35 35 GLU CB C 32 29.575 29.162 0.413 1
1 427 . 6 1 1 A 35 35 GLU N N 32 117.290 119.924 -2.634 1
1 428 . 6 1 1 A 36 36 VAL H H 33 7.659 8.204 -0.545 1
1 429 . 6 1 1 A 36 36 VAL HA H 33 3.774 3.815 -0.041 1
1 437 . 6 1 1 A 36 36 VAL C C 33 176.929 177.683 -0.754 1
1 438 . 6 1 1 A 36 36 VAL CA C 33 63.889 64.997 -1.108 1
1 439 . 6 1 1 A 36 36 VAL CB C 33 31.825 31.252 0.573 1
1 442 . 6 1 1 A 36 36 VAL N N 33 118.056 119.785 -1.729 1
1 443 . 6 1 1 A 37 37 LEU H H 34 7.679 7.806 -0.127 1
1 444 . 6 1 1 A 37 37 LEU HA H 34 3.619 3.865 -0.246 1
1 454 . 6 1 1 A 37 37 LEU C C 34 177.968 178.969 -1.001 1
1 455 . 6 1 1 A 37 37 LEU CA C 34 57.420 57.181 0.239 1
1 456 . 6 1 1 A 37 37 LEU CB C 34 40.263 41.456 -1.193 1
1 460 . 6 1 1 A 37 37 LEU N N 34 116.847 121.660 -4.813 1
1 461 . 6 1 1 A 38 38 GLU H H 35 7.238 8.313 -1.075 1
1 462 . 6 1 1 A 38 38 GLU HA H 35 4.295 4.776 -0.481 1
1 467 . 6 1 1 A 38 38 GLU C C 35 177.853 176.512 1.341 1
1 468 . 6 1 1 A 38 38 GLU CA C 35 57.900 57.920 -0.020 1
1 469 . 6 1 1 A 38 38 GLU CB C 35 30.138 28.867 1.271 1
1 471 . 6 1 1 A 38 38 GLU N N 35 113.881 116.588 -2.707 1
1 472 . 6 1 1 A 39 39 SER H H 36 7.101 7.895 -0.794 1
1 473 . 6 1 1 A 39 39 SER HA H 36 4.518 4.741 -0.223 1
1 476 . 6 1 1 A 39 39 SER CA C 36 55.553 56.096 -0.543 1
1 477 . 6 1 1 A 39 39 SER CB C 36 61.920 63.282 -1.362 1
1 478 . 6 1 1 A 39 39 SER N N 36 109.128 116.273 -7.145 1
1 479 . 6 1 1 A 40 40 PRO HA H 37 4.363 4.307 0.056 1
1 486 . 6 1 1 A 40 40 PRO C C 37 177.879 177.149 0.730 1
1 487 . 6 1 1 A 40 40 PRO CA C 37 64.705 63.762 0.943 1
1 488 . 6 1 1 A 40 40 PRO CB C 37 32.669 31.285 1.384 1
1 491 . 6 1 1 A 41 41 ARG H H 38 8.299 8.407 -0.108 1
1 492 . 6 1 1 A 41 41 ARG HA H 38 3.183 4.262 -1.079 1
1 499 . 6 1 1 A 41 41 ARG C C 38 174.217 175.349 -1.132 1
1 500 . 6 1 1 A 41 41 ARG CA C 38 56.014 56.018 -0.004 1
1 501 . 6 1 1 A 41 41 ARG CB C 38 29.571 29.687 -0.116 1
1 504 . 6 1 1 A 41 41 ARG N N 38 121.121 115.566 5.555 1
1 505 . 6 1 1 A 42 42 ILE H H 39 5.995 7.523 -1.528 1
1 506 . 6 1 1 A 42 42 ILE HA H 39 4.177 4.315 -0.138 1
1 516 . 6 1 1 A 42 42 ILE C C 39 176.295 177.024 -0.729 1
1 517 . 6 1 1 A 42 42 ILE CA C 39 59.389 60.793 -1.404 1
1 518 . 6 1 1 A 42 42 ILE CB C 39 39.138 38.032 1.106 1
1 522 . 6 1 1 A 42 42 ILE N N 39 128.247 122.271 5.976 1
1 523 . 6 1 1 A 43 43 GLU H H 40 8.893 8.955 -0.062 1
1 524 . 6 1 1 A 43 43 GLU HA H 40 4.174 4.180 -0.006 1
1 529 . 6 1 1 A 43 43 GLU C C 40 178.918 178.208 0.710 1
1 530 . 6 1 1 A 43 43 GLU CA C 40 60.336 58.708 1.628 1
1 531 . 6 1 1 A 43 43 GLU CB C 40 29.100 29.146 -0.046 1
1 533 . 6 1 1 A 43 43 GLU N N 40 130.055 127.684 2.371 1
1 534 . 6 1 1 A 44 44 ALA H H 41 8.851 7.700 1.151 1
1 535 . 6 1 1 A 44 44 ALA HA H 41 4.222 4.149 0.073 1
1 539 . 6 1 1 A 44 44 ALA C C 41 178.069 178.084 -0.015 1
1 540 . 6 1 1 A 44 44 ALA CA C 41 54.148 53.912 0.236 1
1 541 . 6 1 1 A 44 44 ALA CB C 41 18.606 18.312 0.294 1
1 542 . 6 1 1 A 44 44 ALA N N 41 119.773 122.375 -2.602 1
1 543 . 6 1 1 A 45 45 ASN H H 42 8.176 7.955 0.221 1
1 544 . 6 1 1 A 45 45 ASN HA H 42 5.046 4.805 0.241 1
1 549 . 6 1 1 A 45 45 ASN C C 42 174.521 175.451 -0.930 1
1 550 . 6 1 1 A 45 45 ASN CA C 42 51.495 53.091 -1.596 1
1 551 . 6 1 1 A 45 45 ASN CB C 42 38.853 39.487 -0.634 1
1 552 . 6 1 1 A 45 45 ASN N N 42 114.425 114.620 -0.195 1
1 554 . 6 1 1 A 46 46 LYS H H 43 7.524 7.627 -0.103 1
1 555 . 6 1 1 A 46 46 LYS HA H 43 3.769 3.736 0.033 1
1 564 . 6 1 1 A 46 46 LYS C C 43 176.143 176.089 0.054 1
1 565 . 6 1 1 A 46 46 LYS CA C 43 56.858 56.111 0.747 1
1 566 . 6 1 1 A 46 46 LYS CB C 43 33.232 32.846 0.386 1
1 570 . 6 1 1 A 46 46 LYS N N 43 122.393 122.336 0.057 1
1 571 . 6 1 1 A 47 47 LEU H H 44 7.982 8.710 -0.728 1
1 572 . 6 1 1 A 47 47 LEU HA H 44 4.374 4.464 -0.090 1
1 582 . 6 1 1 A 47 47 LEU C C 44 176.143 176.214 -0.071 1
1 583 . 6 1 1 A 47 47 LEU CA C 44 53.746 53.808 -0.062 1
1 584 . 6 1 1 A 47 47 LEU CB C 44 41.951 41.605 0.346 1
1 588 . 6 1 1 A 47 47 LEU N N 44 127.624 126.518 1.106 1
1 589 . 6 1 1 A 48 48 ARG H H 45 8.549 8.674 -0.125 1
1 590 . 6 1 1 A 48 48 ARG HA H 45 4.346 3.874 0.472 1
1 597 . 6 1 1 A 48 48 ARG CA C 45 55.800 58.086 -2.286 1
1 598 . 6 1 1 A 48 48 ARG CB C 45 31.263 29.725 1.538 1
1 601 . 6 1 1 A 48 48 ARG N N 45 125.873 124.857 1.016 1
1 602 . 6 1 1 A 49 49 GLY H H 46 8.800 8.995 -0.195 1
1 603 . 6 1 1 A 49 49 GLY HA2 H 46 3.760 3.970 -0.210 1
1 604 . 6 1 1 A 49 49 GLY HA3 H 46 4.070 3.971 0.099 1
1 605 . 6 1 1 A 49 49 GLY C C 46 173.482 174.261 -0.779 1
1 606 . 6 1 1 A 49 49 GLY CA C 46 45.326 45.021 0.305 1
1 607 . 6 1 1 A 49 49 GLY N N 46 111.980 114.793 -2.813 1
1 608 . 6 1 1 A 50 50 MET H H 47 7.272 7.516 -0.244 1
1 609 . 6 1 1 A 50 50 MET HA H 47 4.921 4.599 0.322 1
1 617 . 6 1 1 A 50 50 MET CA C 47 52.049 54.831 -2.782 1
1 618 . 6 1 1 A 50 50 MET CB C 47 33.794 33.244 0.550 1
1 621 . 6 1 1 A 50 50 MET N N 47 119.077 121.248 -2.171 1
1 622 . 6 1 1 A 51 51 PRO HA H 48 4.294 4.402 -0.108 1
1 629 . 6 1 1 A 51 51 PRO C C 48 176.460 176.768 -0.308 1
1 630 . 6 1 1 A 51 51 PRO CA C 48 63.879 62.973 0.906 1
1 631 . 6 1 1 A 51 51 PRO CB C 48 31.825 30.753 1.072 1
1 634 . 6 1 1 A 52 52 ASP H H 49 8.661 8.524 0.137 1
1 635 . 6 1 1 A 52 52 ASP HA H 49 4.487 4.001 0.486 1
1 638 . 6 1 1 A 52 52 ASP C C 49 174.065 175.048 -0.983 1
1 639 . 6 1 1 A 52 52 ASP CA C 49 56.042 54.940 1.102 1
1 640 . 6 1 1 A 52 52 ASP CB C 49 41.107 39.764 1.343 1
1 641 . 6 1 1 A 52 52 ASP N N 49 116.477 117.010 -0.533 1
1 642 . 6 1 1 A 53 53 CYS H H 50 7.575 7.803 -0.228 1
1 643 . 6 1 1 A 53 53 CYS HA H 50 5.835 5.377 0.458 1
1 646 . 6 1 1 A 53 53 CYS C C 50 173.444 173.190 0.254 1
1 647 . 6 1 1 A 53 53 CYS CA C 50 58.110 57.941 0.169 1
1 648 . 6 1 1 A 53 53 CYS CB C 50 30.700 29.847 0.853 1
1 649 . 6 1 1 A 53 53 CYS N N 50 114.414 117.588 -3.174 1
1 650 . 6 1 1 A 54 54 TYR H H 51 8.806 9.353 -0.547 1
1 651 . 6 1 1 A 54 54 TYR HA H 51 4.737 5.360 -0.623 1
1 658 . 6 1 1 A 54 54 TYR C C 51 172.950 174.183 -1.233 1
1 659 . 6 1 1 A 54 54 TYR CA C 51 56.066 56.149 -0.083 1
1 660 . 6 1 1 A 54 54 TYR CB C 51 42.794 43.258 -0.464 1
1 661 . 6 1 1 A 54 54 TYR N N 51 120.858 120.730 0.128 1
1 662 . 6 1 1 A 55 55 LYS H H 52 8.425 8.885 -0.460 1
1 663 . 6 1 1 A 55 55 LYS HA H 52 5.687 5.237 0.450 1
1 672 . 6 1 1 A 55 55 LYS C C 52 176.498 174.929 1.569 1
1 673 . 6 1 1 A 55 55 LYS CA C 52 53.291 54.286 -0.995 1
1 674 . 6 1 1 A 55 55 LYS CB C 52 36.325 35.928 0.397 1
1 678 . 6 1 1 A 55 55 LYS N N 52 115.794 118.516 -2.722 1
1 679 . 6 1 1 A 56 56 ILE H H 53 9.187 9.151 0.036 1
1 680 . 6 1 1 A 56 56 ILE HA H 53 4.416 5.024 -0.608 1
1 690 . 6 1 1 A 56 56 ILE C C 53 174.572 175.454 -0.882 1
1 691 . 6 1 1 A 56 56 ILE CA C 53 60.971 59.874 1.097 1
1 692 . 6 1 1 A 56 56 ILE CB C 53 41.388 41.224 0.164 1
1 696 . 6 1 1 A 56 56 ILE N N 53 120.315 123.748 -3.433 1
1 697 . 6 1 1 A 57 57 LYS H H 54 8.755 9.004 -0.249 1
1 698 . 6 1 1 A 57 57 LYS HA H 54 5.043 5.133 -0.090 1
1 707 . 6 1 1 A 57 57 LYS C C 54 175.193 175.175 0.018 1
1 708 . 6 1 1 A 57 57 LYS CA C 54 54.359 54.824 -0.465 1
1 709 . 6 1 1 A 57 57 LYS CB C 54 35.482 34.951 0.531 1
1 713 . 6 1 1 A 57 57 LYS N N 54 125.616 124.999 0.617 1
1 714 . 6 1 1 A 58 58 LEU H H 55 8.449 8.615 -0.166 1
1 715 . 6 1 1 A 58 58 LEU HA H 55 4.796 4.653 0.143 1
1 725 . 6 1 1 A 58 58 LEU CA C 55 53.201 54.144 -0.943 1
1 726 . 6 1 1 A 58 58 LEU CB C 55 41.669 44.234 -2.565 1
1 730 . 6 1 1 A 58 58 LEU N N 55 124.214 124.074 0.140 1
1 731 . 6 1 1 A 59 59 ARG HA H 56 4.008 4.257 -0.249 1
1 738 . 6 1 1 A 59 59 ARG CA C 56 57.420 58.630 -1.210 1
1 739 . 6 1 1 A 59 59 ARG CB C 56 29.575 31.023 -1.448 1
1 742 . 6 1 1 A 60 60 SER HA H 57 4.246 4.204 0.042 1
1 745 . 6 1 1 A 60 60 SER CA C 57 59.798 61.849 -2.051 1
1 746 . 6 1 1 A 60 60 SER CB C 57 63.045 63.089 -0.044 1
1 747 . 6 1 1 A 61 61 SER HA H 58 4.616 4.987 -0.371 1
1 750 . 6 1 1 A 61 61 SER C C 58 175.155 173.998 1.157 1
1 751 . 6 1 1 A 61 61 SER CA C 58 58.010 57.766 0.244 1
1 752 . 6 1 1 A 61 61 SER CB C 58 64.452 66.967 -2.515 1
1 753 . 6 1 1 A 62 62 GLY H H 59 8.217 8.715 -0.498 1
1 754 . 6 1 1 A 62 62 GLY HA2 H 59 3.926 3.827 0.099 1
1 755 . 6 1 1 A 62 62 GLY HA3 H 59 4.010 3.883 0.127 1
1 756 . 6 1 1 A 62 62 GLY C C 59 174.407 173.588 0.819 1
1 757 . 6 1 1 A 62 62 GLY CA C 59 45.888 47.293 -1.405 1
1 758 . 6 1 1 A 62 62 GLY N N 59 109.272 109.727 -0.455 1
1 759 . 6 1 1 A 63 63 TYR H H 60 7.463 8.851 -1.388 1
1 760 . 6 1 1 A 63 63 TYR HA H 60 4.629 5.032 -0.403 1
1 767 . 6 1 1 A 63 63 TYR C C 60 175.117 175.298 -0.181 1
1 768 . 6 1 1 A 63 63 TYR CA C 60 59.857 57.472 2.385 1
1 769 . 6 1 1 A 63 63 TYR CB C 60 41.388 41.136 0.252 1
1 770 . 6 1 1 A 63 63 TYR N N 60 117.638 121.937 -4.299 1
1 771 . 6 1 1 A 64 64 ARG H H 61 9.261 9.268 -0.007 1
1 772 . 6 1 1 A 64 64 ARG HA H 61 5.458 5.584 -0.126 1
1 779 . 6 1 1 A 64 64 ARG C C 61 173.596 174.378 -0.782 1
1 780 . 6 1 1 A 64 64 ARG CA C 61 53.880 54.294 -0.414 1
1 781 . 6 1 1 A 64 64 ARG CB C 61 34.357 34.522 -0.165 1
1 784 . 6 1 1 A 64 64 ARG N N 61 119.605 121.526 -1.921 1
1 785 . 6 1 1 A 65 65 LEU H H 62 9.085 9.271 -0.186 1
1 786 . 6 1 1 A 65 65 LEU HA H 62 5.432 5.320 0.112 1
1 796 . 6 1 1 A 65 65 LEU C C 62 174.534 174.599 -0.065 1
1 797 . 6 1 1 A 65 65 LEU CA C 62 53.795 53.490 0.305 1
1 798 . 6 1 1 A 65 65 LEU CB C 62 46.732 45.530 1.202 1
1 802 . 6 1 1 A 65 65 LEU N N 62 125.189 125.138 0.051 1
1 803 . 6 1 1 A 66 66 VAL H H 63 9.058 9.177 -0.119 1
1 804 . 6 1 1 A 66 66 VAL HA H 63 4.991 5.133 -0.142 1
1 812 . 6 1 1 A 66 66 VAL C C 63 174.699 175.103 -0.404 1
1 813 . 6 1 1 A 66 66 VAL CA C 63 60.795 60.789 0.006 1
1 814 . 6 1 1 A 66 66 VAL CB C 63 34.075 33.281 0.794 1
1 817 . 6 1 1 A 66 66 VAL N N 63 125.140 126.476 -1.336 1
1 818 . 6 1 1 A 67 67 TYR H H 64 9.091 8.853 0.238 1
1 819 . 6 1 1 A 67 67 TYR HA H 64 5.659 5.604 0.055 1
1 826 . 6 1 1 A 67 67 TYR C C 64 170.910 173.143 -2.233 1
1 827 . 6 1 1 A 67 67 TYR CA C 64 54.286 55.094 -0.808 1
1 828 . 6 1 1 A 67 67 TYR CB C 64 41.951 41.892 0.059 1
1 829 . 6 1 1 A 67 67 TYR N N 64 124.150 123.959 0.191 1
1 830 . 6 1 1 A 68 68 GLN H H 65 9.814 9.311 0.503 1
1 831 . 6 1 1 A 68 68 GLN HA H 65 5.510 5.490 0.020 1
1 838 . 6 1 1 A 68 68 GLN C C 65 175.725 174.711 1.014 1
1 839 . 6 1 1 A 68 68 GLN CA C 65 53.092 54.595 -1.503 1
1 840 . 6 1 1 A 68 68 GLN CB C 65 32.600 31.574 1.026 1
1 842 . 6 1 1 A 68 68 GLN N N 65 123.050 119.165 3.885 1
1 844 . 6 1 1 A 69 69 VAL H H 66 9.198 9.658 -0.460 1
1 845 . 6 1 1 A 69 69 VAL HA H 66 4.369 4.590 -0.221 1
1 853 . 6 1 1 A 69 69 VAL C C 66 175.357 175.027 0.330 1
1 854 . 6 1 1 A 69 69 VAL CA C 66 63.045 61.941 1.104 1
1 855 . 6 1 1 A 69 69 VAL CB C 66 32.669 32.814 -0.145 1
1 858 . 6 1 1 A 69 69 VAL N N 66 127.343 123.780 3.563 1
1 859 . 6 1 1 A 70 70 ILE H H 67 9.241 9.460 -0.219 1
1 860 . 6 1 1 A 70 70 ILE HA H 67 4.471 4.411 0.060 1
1 870 . 6 1 1 A 70 70 ILE C C 67 177.081 176.166 0.915 1
1 871 . 6 1 1 A 70 70 ILE CA C 67 59.716 60.920 -1.204 1
1 872 . 6 1 1 A 70 70 ILE CB C 67 37.169 36.997 0.172 1
1 876 . 6 1 1 A 70 70 ILE N N 67 129.254 127.569 1.685 1
1 877 . 6 1 1 A 71 71 ASP H H 68 9.374 8.808 0.566 1
1 878 . 6 1 1 A 71 71 ASP HA H 68 4.574 4.486 0.088 1
1 881 . 6 1 1 A 71 71 ASP C C 68 179.868 177.981 1.887 1
1 882 . 6 1 1 A 71 71 ASP CA C 68 58.797 57.645 1.152 1
1 883 . 6 1 1 A 71 71 ASP CB C 68 40.544 40.750 -0.206 1
1 884 . 6 1 1 A 71 71 ASP N N 68 129.133 128.967 0.166 1
1 885 . 6 1 1 A 72 72 GLU H H 69 9.631 8.281 1.350 1
1 886 . 6 1 1 A 72 72 GLU HA H 69 4.088 4.111 -0.023 1
1 891 . 6 1 1 A 72 72 GLU C C 69 176.865 177.815 -0.950 1
1 892 . 6 1 1 A 72 72 GLU CA C 69 59.670 59.316 0.354 1
1 893 . 6 1 1 A 72 72 GLU CB C 69 29.100 29.787 -0.687 1
1 895 . 6 1 1 A 72 72 GLU N N 69 118.880 118.672 0.208 1
1 896 . 6 1 1 A 73 73 LYS H H 70 6.582 7.754 -1.172 1
1 897 . 6 1 1 A 73 73 LYS HA H 70 4.474 4.420 0.054 1
1 906 . 6 1 1 A 73 73 LYS C C 70 173.964 175.568 -1.604 1
1 907 . 6 1 1 A 73 73 LYS CA C 70 54.604 55.746 -1.142 1
1 908 . 6 1 1 A 73 73 LYS CB C 70 34.075 32.765 1.310 1
1 912 . 6 1 1 A 73 73 LYS N N 70 114.014 116.993 -2.979 1
1 913 . 6 1 1 A 74 74 VAL H H 71 7.791 7.689 0.102 1
1 914 . 6 1 1 A 74 74 VAL HA H 71 2.948 3.633 -0.685 1
1 922 . 6 1 1 A 74 74 VAL C C 71 173.381 174.236 -0.855 1
1 923 . 6 1 1 A 74 74 VAL CA C 71 63.045 63.727 -0.682 1
1 924 . 6 1 1 A 74 74 VAL CB C 71 29.013 29.620 -0.607 1
1 927 . 6 1 1 A 74 74 VAL N N 71 119.301 116.229 3.072 1
1 928 . 6 1 1 A 75 75 VAL H H 72 7.736 8.015 -0.279 1
1 929 . 6 1 1 A 75 75 VAL HA H 72 5.159 5.025 0.134 1
1 937 . 6 1 1 A 75 75 VAL C C 72 175.028 173.936 1.092 1
1 938 . 6 1 1 A 75 75 VAL CA C 72 59.839 60.377 -0.538 1
1 939 . 6 1 1 A 75 75 VAL CB C 72 37.732 35.810 1.922 1
1 942 . 6 1 1 A 75 75 VAL N N 72 116.865 119.985 -3.120 1
1 943 . 6 1 1 A 76 76 VAL H H 73 9.006 9.343 -0.337 1
1 944 . 6 1 1 A 76 76 VAL HA H 73 4.190 4.754 -0.564 1
1 952 . 6 1 1 A 76 76 VAL C C 73 172.177 174.550 -2.373 1
1 953 . 6 1 1 A 76 76 VAL CA C 73 62.473 61.117 1.356 1
1 954 . 6 1 1 A 76 76 VAL CB C 73 32.388 32.346 0.042 1
1 957 . 6 1 1 A 76 76 VAL N N 73 128.675 128.186 0.489 1
1 958 . 6 1 1 A 77 77 PHE H H 74 9.468 9.446 0.022 1
1 959 . 6 1 1 A 77 77 PHE HA H 74 5.019 5.446 -0.427 1
1 966 . 6 1 1 A 77 77 PHE C C 74 174.420 174.035 0.385 1
1 967 . 6 1 1 A 77 77 PHE CA C 74 54.378 55.310 -0.932 1
1 968 . 6 1 1 A 77 77 PHE CB C 74 42.230 41.270 0.960 1
1 969 . 6 1 1 A 77 77 PHE N N 74 130.014 128.550 1.464 1
1 970 . 6 1 1 A 78 78 VAL H H 75 8.990 8.877 0.113 1
1 971 . 6 1 1 A 78 78 VAL HA H 75 3.645 4.103 -0.458 1
1 979 . 6 1 1 A 78 78 VAL C C 75 174.813 175.693 -0.880 1
1 980 . 6 1 1 A 78 78 VAL CA C 75 64.452 63.885 0.567 1
1 981 . 6 1 1 A 78 78 VAL CB C 75 31.009 31.568 -0.559 1
1 984 . 6 1 1 A 78 78 VAL N N 75 128.474 127.263 1.211 1
1 985 . 6 1 1 A 79 79 ILE H H 76 8.679 9.298 -0.619 1
1 986 . 6 1 1 A 79 79 ILE HA H 76 4.171 4.356 -0.185 1
1 996 . 6 1 1 A 79 79 ILE C C 76 176.092 175.945 0.147 1
1 997 . 6 1 1 A 79 79 ILE CA C 76 61.635 62.464 -0.829 1
1 998 . 6 1 1 A 79 79 ILE CB C 76 39.982 38.627 1.355 1
1 1002 . 6 1 1 A 79 79 ILE N N 76 122.334 129.035 -6.701 1
1 1003 . 6 1 1 A 80 80 SER H H 77 7.614 7.836 -0.222 1
1 1004 . 6 1 1 A 80 80 SER HA H 77 4.724 5.104 -0.380 1
1 1007 . 6 1 1 A 80 80 SER C C 77 172.545 172.134 0.411 1
1 1008 . 6 1 1 A 80 80 SER CA C 77 57.849 57.799 0.050 1
1 1009 . 6 1 1 A 80 80 SER CB C 77 64.733 67.067 -2.334 1
1 1010 . 6 1 1 A 80 80 SER N N 77 113.369 114.530 -1.161 1
1 1011 . 6 1 1 A 81 81 VAL H H 78 8.814 8.709 0.105 1
1 1012 . 6 1 1 A 81 81 VAL HA H 78 5.102 5.046 0.056 1
1 1020 . 6 1 1 A 81 81 VAL C C 78 173.761 174.541 -0.780 1
1 1021 . 6 1 1 A 81 81 VAL CA C 78 61.004 59.852 1.152 1
1 1022 . 6 1 1 A 81 81 VAL CB C 78 34.638 35.830 -1.192 1
1 1025 . 6 1 1 A 81 81 VAL N N 78 123.792 121.732 2.060 1
1 1026 . 6 1 1 A 82 82 GLY H H 79 8.628 8.177 0.451 1
1 1027 . 6 1 1 A 82 82 GLY HA2 H 79 4.365 4.270 0.095 1
1 1028 . 6 1 1 A 82 82 GLY HA3 H 79 4.214 4.404 -0.190 1
1 1029 . 6 1 1 A 82 82 GLY C C 79 171.201 171.748 -0.547 1
1 1030 . 6 1 1 A 82 82 GLY CA C 79 45.606 45.251 0.355 1
1 1031 . 6 1 1 A 82 82 GLY N N 79 111.112 113.308 -2.196 1
1 1032 . 6 1 1 A 83 83 LYS H H 80 8.670 8.203 0.467 1
1 1033 . 6 1 1 A 83 83 LYS HA H 80 4.205 4.365 -0.160 1
1 1042 . 6 1 1 A 83 83 LYS C C 80 176.080 176.345 -0.265 1
1 1043 . 6 1 1 A 83 83 LYS CA C 80 55.451 54.811 0.640 1
1 1044 . 6 1 1 A 83 83 LYS CB C 80 32.665 33.879 -1.214 1
1 1048 . 6 1 1 A 83 83 LYS N N 80 120.943 121.678 -0.735 1
1 1049 . 6 1 1 A 84 84 ALA H H 81 8.049 8.148 -0.099 1
1 1050 . 6 1 1 A 84 84 ALA HA H 81 4.182 4.342 -0.160 1
1 1054 . 6 1 1 A 84 84 ALA C C 81 176.941 176.421 0.520 1
1 1055 . 6 1 1 A 84 84 ALA CA C 81 52.248 51.687 0.561 1
1 1056 . 6 1 1 A 84 84 ALA CB C 81 19.450 17.684 1.766 1
1 1057 . 6 1 1 A 84 84 ALA N N 81 125.262 126.333 -1.071 1
1 1058 . 6 1 1 A 85 85 GLU H H 82 8.460 8.132 0.328 1
1 1059 . 6 1 1 A 85 85 GLU HA H 82 4.230 4.760 -0.530 1
1 1064 . 6 1 1 A 85 85 GLU C C 82 176.599 176.002 0.597 1
1 1065 . 6 1 1 A 85 85 GLU CA C 82 56.446 55.660 0.786 1
1 1066 . 6 1 1 A 85 85 GLU CB C 82 29.853 30.935 -1.082 1
1 1068 . 6 1 1 A 85 85 GLU N N 82 119.296 119.353 -0.057 1
1 1069 . 6 1 1 A 86 86 ALA H H 83 8.403 9.244 -0.841 1
1 1070 . 6 1 1 A 86 86 ALA HA H 83 4.149 4.044 0.105 1
1 1074 . 6 1 1 A 86 86 ALA C C 83 177.777 176.504 1.273 1
1 1075 . 6 1 1 A 86 86 ALA CA C 83 53.448 53.438 0.010 1
1 1076 . 6 1 1 A 86 86 ALA CB C 83 18.887 17.686 1.201 1
1 1077 . 6 1 1 A 86 86 ALA N N 83 124.833 123.094 1.739 1
1 1078 . 6 1 1 A 87 87 SER H H 84 8.301 8.486 -0.185 1
1 1079 . 6 1 1 A 87 87 SER HA H 84 4.297 4.480 -0.183 1
1 1082 . 6 1 1 A 87 87 SER C C 84 175.370 174.365 1.005 1
1 1083 . 6 1 1 A 87 87 SER N N 84 113.395 104.393 9.002 1
1 1084 . 6 1 1 A 88 88 GLU H H 85 8.271 8.068 0.203 1
1 1085 . 6 1 1 A 88 88 GLU HA H 85 4.239 3.939 0.300 1
1 1090 . 6 1 1 A 88 88 GLU C C 85 177.081 178.977 -1.896 1
1 1091 . 6 1 1 A 88 88 GLU CA C 85 57.140 59.249 -2.109 1
1 1092 . 6 1 1 A 88 88 GLU CB C 85 29.856 29.428 0.428 1
1 1094 . 6 1 1 A 88 88 GLU N N 85 122.554 120.321 2.233 1
1 1095 . 6 1 1 A 89 89 VAL H H 86 7.833 7.868 -0.035 1
1 1096 . 6 1 1 A 89 89 VAL HA H 86 3.895 3.851 0.044 1
1 1104 . 6 1 1 A 89 89 VAL C C 86 177.172 176.708 0.464 1
1 1105 . 6 1 1 A 89 89 VAL CA C 86 63.045 64.908 -1.863 1
1 1106 . 6 1 1 A 89 89 VAL CB C 86 32.107 31.054 1.053 1
1 1109 . 6 1 1 A 89 89 VAL N N 86 119.916 118.234 1.682 1
1 1110 . 6 1 1 A 90 90 TYR H H 87 8.142 7.285 0.857 1
1 1111 . 6 1 1 A 90 90 TYR HA H 87 4.479 4.464 0.015 1
1 1118 . 6 1 1 A 90 90 TYR C C 87 176.637 178.253 -1.616 1
1 1119 . 6 1 1 A 90 90 TYR CA C 87 58.545 60.414 -1.869 1
1 1120 . 6 1 1 A 90 90 TYR CB C 87 37.732 39.239 -1.507 1
1 1121 . 6 1 1 A 90 90 TYR N N 87 122.303 121.270 1.033 1
1 1122 . 6 1 1 A 91 91 SER H H 88 8.090 8.272 -0.182 1
1 1123 . 6 1 1 A 91 91 SER HA H 88 4.335 4.303 0.032 1
1 1126 . 6 1 1 A 91 91 SER C C 88 176.130 176.345 -0.215 1
1 1127 . 6 1 1 A 91 91 SER CA C 88 59.899 61.621 -1.722 1
1 1128 . 6 1 1 A 91 91 SER CB C 88 62.483 62.931 -0.448 1
1 1129 . 6 1 1 A 91 91 SER N N 88 115.828 116.258 -0.430 1
1 1130 . 6 1 1 A 92 92 GLU H H 89 8.234 8.190 0.044 1
1 1131 . 6 1 1 A 92 92 GLU HA H 89 4.213 4.088 0.125 1
1 1136 . 6 1 1 A 92 92 GLU C C 89 177.600 178.966 -1.366 1
1 1137 . 6 1 1 A 92 92 GLU CA C 89 57.701 59.367 -1.666 1
1 1138 . 6 1 1 A 92 92 GLU CB C 89 29.575 28.968 0.607 1
1 1140 . 6 1 1 A 92 92 GLU N N 89 121.225 119.385 1.840 1
1 1141 . 6 1 1 A 93 93 ALA H H 90 7.960 8.077 -0.117 1
1 1142 . 6 1 1 A 93 93 ALA HA H 90 4.025 4.129 -0.104 1
1 1146 . 6 1 1 A 93 93 ALA C C 90 178.550 179.811 -1.261 1
1 1147 . 6 1 1 A 93 93 ALA CA C 90 54.225 55.122 -0.897 1
1 1148 . 6 1 1 A 93 93 ALA CB C 90 18.325 18.686 -0.361 1
1 1149 . 6 1 1 A 93 93 ALA N N 90 122.055 123.168 -1.113 1
1 1150 . 6 1 1 A 94 94 VAL H H 91 7.799 7.874 -0.075 1
1 1151 . 6 1 1 A 94 94 VAL HA H 91 3.818 3.810 0.008 1
1 1159 . 6 1 1 A 94 94 VAL CA C 91 64.167 65.123 -0.956 1
1 1160 . 6 1 1 A 94 94 VAL CB C 91 31.825 31.233 0.592 1
1 1163 . 6 1 1 A 94 94 VAL N N 91 115.727 117.044 -1.317 1
1 1164 . 6 1 1 A 95 95 LYS H H 92 7.764 7.807 -0.043 1
1 1165 . 6 1 1 A 95 95 LYS HA H 92 4.197 4.186 0.011 1
1 1174 . 6 1 1 A 95 95 LYS C C 92 177.600 179.112 -1.512 1
1 1175 . 6 1 1 A 95 95 LYS CA C 92 57.139 59.012 -1.873 1
1 1176 . 6 1 1 A 95 95 LYS CB C 92 32.600 32.518 0.082 1
1 1180 . 6 1 1 A 95 95 LYS N N 92 120.823 122.433 -1.610 1
1 1181 . 6 1 1 A 96 96 ARG H H 93 7.970 7.606 0.364 1
1 1182 . 6 1 1 A 96 96 ARG HA H 93 4.341 4.125 0.216 1
1 1189 . 6 1 1 A 96 96 ARG C C 93 179.703 178.460 1.243 1
1 1190 . 6 1 1 A 96 96 ARG CA C 93 56.295 58.687 -2.392 1
1 1191 . 6 1 1 A 96 96 ARG CB C 93 31.400 29.770 1.630 1
1 1194 . 6 1 1 A 96 96 ARG N N 93 119.070 120.281 -1.211 1
1 1195 . 6 1 1 A 97 97 ILE H H 94 8.012 7.447 0.565 1
1 1196 . 6 1 1 A 97 97 ILE HA H 94 4.216 3.994 0.222 1
1 1206 . 6 1 1 A 97 97 ILE C C 94 175.509 176.025 -0.516 1
1 1207 . 6 1 1 A 97 97 ILE CA C 94 61.362 63.295 -1.933 1
1 1208 . 6 1 1 A 97 97 ILE CB C 94 38.576 38.547 0.029 1
1 1212 . 6 1 1 A 97 97 ILE N N 94 120.512 118.824 1.688 1
1 16 . 7 1 1 A 5 5 ALA H H 2 8.084 8.625 -0.541 1
1 17 . 7 1 1 A 5 5 ALA HA H 2 4.423 5.720 -1.297 1
1 21 . 7 1 1 A 5 5 ALA C C 2 176.536 175.642 0.894 1
1 22 . 7 1 1 A 5 5 ALA CA C 2 51.634 50.244 1.390 1
1 23 . 7 1 1 A 5 5 ALA CB C 2 19.439 23.522 -4.083 1
1 24 . 7 1 1 A 5 5 ALA N N 2 125.284 126.386 -1.102 1
1 25 . 7 1 1 A 6 6 TYR H H 3 8.406 8.296 0.110 1
1 26 . 7 1 1 A 6 6 TYR HA H 3 4.312 4.889 -0.577 1
1 33 . 7 1 1 A 6 6 TYR C C 3 175.433 175.156 0.277 1
1 34 . 7 1 1 A 6 6 TYR CA C 3 57.701 56.172 1.529 1
1 35 . 7 1 1 A 6 6 TYR CB C 3 39.701 42.563 -2.862 1
1 36 . 7 1 1 A 6 6 TYR N N 3 120.887 117.655 3.232 1
1 37 . 7 1 1 A 7 7 PHE H H 4 8.703 9.508 -0.805 1
1 38 . 7 1 1 A 7 7 PHE HA H 4 4.645 4.840 -0.195 1
1 45 . 7 1 1 A 7 7 PHE C C 4 173.812 174.740 -0.928 1
1 46 . 7 1 1 A 7 7 PHE CA C 4 56.853 57.538 -0.685 1
1 47 . 7 1 1 A 7 7 PHE CB C 4 40.541 40.556 -0.015 1
1 48 . 7 1 1 A 7 7 PHE N N 4 119.295 119.846 -0.551 1
1 49 . 7 1 1 A 8 8 LEU H H 5 8.255 8.675 -0.420 1
1 50 . 7 1 1 A 8 8 LEU HA H 5 4.985 5.195 -0.210 1
1 60 . 7 1 1 A 8 8 LEU C C 5 174.927 174.304 0.623 1
1 61 . 7 1 1 A 8 8 LEU CA C 5 53.544 53.338 0.206 1
1 62 . 7 1 1 A 8 8 LEU CB C 5 44.201 45.685 -1.484 1
1 66 . 7 1 1 A 8 8 LEU N N 5 124.516 123.014 1.502 1
1 67 . 7 1 1 A 9 9 ASP H H 6 9.047 9.037 0.010 1
1 68 . 7 1 1 A 9 9 ASP HA H 6 5.089 5.419 -0.330 1
1 71 . 7 1 1 A 9 9 ASP C C 6 173.216 174.220 -1.004 1
1 72 . 7 1 1 A 9 9 ASP CA C 6 52.278 52.794 -0.516 1
1 73 . 7 1 1 A 9 9 ASP CB C 6 45.326 45.067 0.259 1
1 74 . 7 1 1 A 9 9 ASP N N 6 126.171 125.488 0.683 1
1 75 . 7 1 1 A 10 10 PHE H H 7 8.891 8.899 -0.008 1
1 76 . 7 1 1 A 10 10 PHE HA H 7 4.545 4.829 -0.284 1
1 83 . 7 1 1 A 10 10 PHE C C 7 175.218 174.551 0.667 1
1 84 . 7 1 1 A 10 10 PHE CA C 7 56.243 56.498 -0.255 1
1 85 . 7 1 1 A 10 10 PHE CB C 7 43.638 42.093 1.545 1
1 86 . 7 1 1 A 10 10 PHE N N 7 119.178 120.822 -1.644 1
1 87 . 7 1 1 A 11 11 ASP H H 8 8.124 8.257 -0.133 1
1 88 . 7 1 1 A 11 11 ASP HA H 8 4.551 4.756 -0.205 1
1 91 . 7 1 1 A 11 11 ASP C C 8 177.157 177.383 -0.226 1
1 92 . 7 1 1 A 11 11 ASP CA C 8 54.315 54.369 -0.054 1
1 93 . 7 1 1 A 11 11 ASP CB C 8 44.201 42.667 1.534 1
1 94 . 7 1 1 A 11 11 ASP N N 8 123.305 124.031 -0.726 1
1 95 . 7 1 1 A 12 12 GLU H H 9 9.197 9.028 0.169 1
1 96 . 7 1 1 A 12 12 GLU HA H 9 4.016 4.132 -0.116 1
1 101 . 7 1 1 A 12 12 GLU C C 9 178.880 178.596 0.284 1
1 102 . 7 1 1 A 12 12 GLU CA C 9 60.365 59.267 1.098 1
1 103 . 7 1 1 A 12 12 GLU CB C 9 29.670 29.232 0.438 1
1 105 . 7 1 1 A 12 12 GLU N N 9 127.082 123.263 3.819 1
1 106 . 7 1 1 A 13 13 ARG H H 10 8.949 8.435 0.514 1
1 107 . 7 1 1 A 13 13 ARG HA H 10 4.097 4.086 0.011 1
1 114 . 7 1 1 A 13 13 ARG C C 10 179.273 178.908 0.365 1
1 115 . 7 1 1 A 13 13 ARG CA C 10 58.924 59.122 -0.198 1
1 116 . 7 1 1 A 13 13 ARG CB C 10 30.138 30.438 -0.300 1
1 119 . 7 1 1 A 13 13 ARG N N 10 119.265 119.568 -0.303 1
1 120 . 7 1 1 A 14 14 ALA H H 11 7.451 8.064 -0.613 1
1 121 . 7 1 1 A 14 14 ALA HA H 11 4.685 4.165 0.520 1
1 125 . 7 1 1 A 14 14 ALA C C 11 179.564 179.845 -0.281 1
1 126 . 7 1 1 A 14 14 ALA CA C 11 53.705 54.958 -1.253 1
1 127 . 7 1 1 A 14 14 ALA CB C 11 18.325 18.375 -0.050 1
1 128 . 7 1 1 A 14 14 ALA N N 11 122.421 122.089 0.332 1
1 129 . 7 1 1 A 15 15 LEU H H 12 8.683 8.247 0.436 1
1 130 . 7 1 1 A 15 15 LEU HA H 12 3.877 4.065 -0.188 1
1 140 . 7 1 1 A 15 15 LEU C C 12 178.550 179.167 -0.617 1
1 141 . 7 1 1 A 15 15 LEU CA C 12 57.139 57.152 -0.013 1
1 142 . 7 1 1 A 15 15 LEU CB C 12 41.103 41.668 -0.565 1
1 146 . 7 1 1 A 15 15 LEU N N 12 120.118 120.446 -0.328 1
1 147 . 7 1 1 A 16 16 LYS H H 13 7.345 7.951 -0.606 1
1 148 . 7 1 1 A 16 16 LYS HA H 13 3.995 4.028 -0.033 1
1 157 . 7 1 1 A 16 16 LYS C C 13 179.678 179.969 -0.291 1
1 158 . 7 1 1 A 16 16 LYS CA C 13 59.700 60.403 -0.703 1
1 159 . 7 1 1 A 16 16 LYS CB C 13 32.388 32.065 0.323 1
1 163 . 7 1 1 A 16 16 LYS N N 13 117.725 119.740 -2.015 1
1 164 . 7 1 1 A 17 17 GLU H H 14 7.453 7.783 -0.330 1
1 165 . 7 1 1 A 17 17 GLU HA H 14 4.016 4.103 -0.087 1
1 170 . 7 1 1 A 17 17 GLU C C 14 179.589 179.164 0.425 1
1 171 . 7 1 1 A 17 17 GLU CA C 14 58.841 59.284 -0.443 1
1 172 . 7 1 1 A 17 17 GLU CB C 14 29.298 29.568 -0.270 1
1 174 . 7 1 1 A 17 17 GLU N N 14 118.019 120.001 -1.982 1
1 175 . 7 1 1 A 18 18 TRP H H 15 9.081 8.570 0.511 1
1 176 . 7 1 1 A 18 18 TRP HA H 15 4.174 4.217 -0.043 1
1 183 . 7 1 1 A 18 18 TRP C C 15 178.360 178.645 -0.285 1
1 184 . 7 1 1 A 18 18 TRP CA C 15 59.938 60.958 -1.020 1
1 185 . 7 1 1 A 18 18 TRP CB C 15 30.241 29.793 0.448 1
1 186 . 7 1 1 A 18 18 TRP N N 15 122.628 121.967 0.661 1
1 188 . 7 1 1 A 19 19 ARG H H 16 8.197 8.069 0.128 1
1 189 . 7 1 1 A 19 19 ARG HA H 16 3.863 4.077 -0.214 1
1 196 . 7 1 1 A 19 19 ARG C C 16 177.030 179.196 -2.166 1
1 197 . 7 1 1 A 19 19 ARG CA C 16 58.516 58.926 -0.410 1
1 198 . 7 1 1 A 19 19 ARG CB C 16 30.300 29.733 0.567 1
1 201 . 7 1 1 A 19 19 ARG N N 16 115.582 118.486 -2.904 1
1 202 . 7 1 1 A 20 20 LYS H H 17 7.308 7.889 -0.581 1
1 203 . 7 1 1 A 20 20 LYS HA H 17 4.238 4.082 0.156 1
1 212 . 7 1 1 A 20 20 LYS C C 17 177.043 177.310 -0.267 1
1 213 . 7 1 1 A 20 20 LYS CA C 17 56.270 59.045 -2.775 1
1 214 . 7 1 1 A 20 20 LYS CB C 17 32.300 31.807 0.493 1
1 218 . 7 1 1 A 20 20 LYS N N 17 116.689 119.644 -2.955 1
1 219 . 7 1 1 A 21 21 LEU H H 18 6.998 7.403 -0.405 1
1 220 . 7 1 1 A 21 21 LEU HA H 18 4.026 4.151 -0.125 1
1 230 . 7 1 1 A 21 21 LEU C C 18 177.676 177.507 0.169 1
1 231 . 7 1 1 A 21 21 LEU CA C 18 54.567 55.201 -0.634 1
1 232 . 7 1 1 A 21 21 LEU CB C 18 43.357 42.150 1.207 1
1 236 . 7 1 1 A 21 21 LEU N N 18 118.778 121.186 -2.408 1
1 237 . 7 1 1 A 22 22 GLY H H 19 8.370 8.369 0.001 1
1 238 . 7 1 1 A 22 22 GLY HA2 H 19 4.064 3.946 0.118 1
1 239 . 7 1 1 A 22 22 GLY HA3 H 19 3.845 3.979 -0.134 1
1 240 . 7 1 1 A 22 22 GLY C C 19 174.813 174.859 -0.046 1
1 241 . 7 1 1 A 22 22 GLY CA C 19 45.045 45.301 -0.256 1
1 242 . 7 1 1 A 22 22 GLY N N 19 107.490 109.487 -1.997 1
1 243 . 7 1 1 A 23 23 SER H H 20 8.675 8.796 -0.121 1
1 244 . 7 1 1 A 23 23 SER HA H 20 4.288 3.935 0.353 1
1 247 . 7 1 1 A 23 23 SER CA C 20 58.981 62.517 -3.536 1
1 248 . 7 1 1 A 23 23 SER CB C 20 63.045 62.752 0.293 1
1 249 . 7 1 1 A 23 23 SER N N 20 117.877 118.116 -0.239 1
1 250 . 7 1 1 A 24 24 THR H H 21 8.216 7.945 0.271 1
1 251 . 7 1 1 A 24 24 THR HA H 21 3.983 3.999 -0.016 1
1 256 . 7 1 1 A 24 24 THR C C 21 176.510 176.818 -0.308 1
1 257 . 7 1 1 A 24 24 THR CA C 21 65.858 66.328 -0.470 1
1 258 . 7 1 1 A 24 24 THR CB C 21 67.941 68.022 -0.081 1
1 260 . 7 1 1 A 24 24 THR N N 21 115.680 118.094 -2.414 1
1 261 . 7 1 1 A 25 25 VAL H H 22 7.143 7.767 -0.624 1
1 262 . 7 1 1 A 25 25 VAL HA H 22 3.545 3.350 0.195 1
1 270 . 7 1 1 A 25 25 VAL C C 22 177.613 177.653 -0.040 1
1 271 . 7 1 1 A 25 25 VAL CA C 22 65.577 66.668 -1.091 1
1 272 . 7 1 1 A 25 25 VAL CB C 22 31.544 31.234 0.310 1
1 275 . 7 1 1 A 25 25 VAL N N 22 122.443 121.731 0.712 1
1 276 . 7 1 1 A 26 26 ARG H H 23 7.840 8.129 -0.289 1
1 277 . 7 1 1 A 26 26 ARG HA H 23 3.156 3.648 -0.492 1
1 284 . 7 1 1 A 26 26 ARG C C 23 177.790 178.320 -0.530 1
1 285 . 7 1 1 A 26 26 ARG CA C 23 59.951 58.443 1.508 1
1 286 . 7 1 1 A 26 26 ARG CB C 23 29.590 28.955 0.635 1
1 289 . 7 1 1 A 26 26 ARG N N 23 119.146 119.817 -0.671 1
1 290 . 7 1 1 A 27 27 GLU H H 24 8.159 8.366 -0.207 1
1 291 . 7 1 1 A 27 27 GLU HA H 24 3.970 4.092 -0.122 1
1 296 . 7 1 1 A 27 27 GLU C C 24 179.577 179.162 0.415 1
1 297 . 7 1 1 A 27 27 GLU CA C 24 59.400 58.977 0.423 1
1 298 . 7 1 1 A 27 27 GLU CB C 24 29.013 29.050 -0.037 1
1 300 . 7 1 1 A 27 27 GLU N N 24 116.672 118.768 -2.096 1
1 301 . 7 1 1 A 28 28 GLN H H 25 7.693 7.624 0.069 1
1 302 . 7 1 1 A 28 28 GLN HA H 25 4.094 4.045 0.049 1
1 309 . 7 1 1 A 28 28 GLN C C 25 179.919 179.098 0.821 1
1 310 . 7 1 1 A 28 28 GLN CA C 25 59.108 58.809 0.299 1
1 311 . 7 1 1 A 28 28 GLN CB C 25 29.575 28.111 1.464 1
1 313 . 7 1 1 A 28 28 GLN N N 25 118.482 119.129 -0.647 1
1 315 . 7 1 1 A 29 29 LEU H H 26 8.441 8.134 0.307 1
1 316 . 7 1 1 A 29 29 LEU HA H 26 4.096 4.146 -0.050 1
1 326 . 7 1 1 A 29 29 LEU C C 26 178.804 179.552 -0.748 1
1 327 . 7 1 1 A 29 29 LEU CA C 26 57.983 58.097 -0.114 1
1 328 . 7 1 1 A 29 29 LEU CB C 26 42.513 41.432 1.081 1
1 332 . 7 1 1 A 29 29 LEU N N 26 119.907 120.449 -0.542 1
1 333 . 7 1 1 A 30 30 LYS H H 27 9.233 8.791 0.442 1
1 334 . 7 1 1 A 30 30 LYS HA H 27 4.076 4.218 -0.142 1
1 343 . 7 1 1 A 30 30 LYS C C 27 178.056 178.832 -0.776 1
1 344 . 7 1 1 A 30 30 LYS CA C 27 60.233 59.433 0.800 1
1 345 . 7 1 1 A 30 30 LYS CB C 27 32.103 32.627 -0.524 1
1 349 . 7 1 1 A 30 30 LYS N N 27 120.508 120.371 0.137 1
1 350 . 7 1 1 A 31 31 LYS H H 28 7.698 7.870 -0.172 1
1 351 . 7 1 1 A 31 31 LYS HA H 28 4.056 4.089 -0.033 1
1 360 . 7 1 1 A 31 31 LYS C C 28 179.539 179.354 0.185 1
1 361 . 7 1 1 A 31 31 LYS CA C 28 59.596 59.814 -0.218 1
1 362 . 7 1 1 A 31 31 LYS CB C 28 32.400 32.245 0.155 1
1 366 . 7 1 1 A 31 31 LYS N N 28 117.412 118.112 -0.700 1
1 367 . 7 1 1 A 32 32 LYS H H 29 7.347 7.754 -0.407 1
1 368 . 7 1 1 A 32 32 LYS HA H 29 4.230 4.055 0.175 1
1 377 . 7 1 1 A 32 32 LYS C C 29 179.057 179.438 -0.381 1
1 378 . 7 1 1 A 32 32 LYS CA C 29 57.553 59.526 -1.973 1
1 379 . 7 1 1 A 32 32 LYS CB C 29 32.103 32.220 -0.117 1
1 383 . 7 1 1 A 32 32 LYS N N 29 116.983 119.919 -2.936 1
1 384 . 7 1 1 A 33 33 LEU H H 30 8.663 8.150 0.513 1
1 385 . 7 1 1 A 33 33 LEU HA H 30 3.844 3.996 -0.152 1
1 395 . 7 1 1 A 33 33 LEU C C 30 177.765 179.188 -1.423 1
1 396 . 7 1 1 A 33 33 LEU CA C 30 57.420 58.060 -0.640 1
1 397 . 7 1 1 A 33 33 LEU CB C 30 42.513 41.994 0.519 1
1 401 . 7 1 1 A 33 33 LEU N N 30 121.134 120.308 0.826 1
1 402 . 7 1 1 A 34 34 VAL H H 31 8.185 8.500 -0.315 1
1 403 . 7 1 1 A 34 34 VAL HA H 31 3.548 3.748 -0.200 1
1 411 . 7 1 1 A 34 34 VAL C C 31 178.639 177.488 1.151 1
1 412 . 7 1 1 A 34 34 VAL CA C 31 66.702 65.264 1.438 1
1 413 . 7 1 1 A 34 34 VAL CB C 31 31.544 31.157 0.387 1
1 416 . 7 1 1 A 34 34 VAL N N 31 117.076 119.449 -2.373 1
1 417 . 7 1 1 A 35 35 GLU H H 32 7.143 8.096 -0.953 1
1 418 . 7 1 1 A 35 35 GLU HA H 32 4.093 4.069 0.024 1
1 423 . 7 1 1 A 35 35 GLU C C 32 179.450 178.816 0.634 1
1 424 . 7 1 1 A 35 35 GLU CA C 32 58.264 59.081 -0.817 1
1 425 . 7 1 1 A 35 35 GLU CB C 32 29.575 29.192 0.383 1
1 427 . 7 1 1 A 35 35 GLU N N 32 117.290 119.858 -2.568 1
1 428 . 7 1 1 A 36 36 VAL H H 33 7.659 8.405 -0.746 1
1 429 . 7 1 1 A 36 36 VAL HA H 33 3.774 3.805 -0.031 1
1 437 . 7 1 1 A 36 36 VAL C C 33 176.929 177.623 -0.694 1
1 438 . 7 1 1 A 36 36 VAL CA C 33 63.889 65.326 -1.437 1
1 439 . 7 1 1 A 36 36 VAL CB C 33 31.825 31.107 0.718 1
1 442 . 7 1 1 A 36 36 VAL N N 33 118.056 120.005 -1.949 1
1 443 . 7 1 1 A 37 37 LEU H H 34 7.679 7.870 -0.191 1
1 444 . 7 1 1 A 37 37 LEU HA H 34 3.619 3.894 -0.275 1
1 454 . 7 1 1 A 37 37 LEU C C 34 177.968 178.316 -0.348 1
1 455 . 7 1 1 A 37 37 LEU CA C 34 57.420 57.184 0.236 1
1 456 . 7 1 1 A 37 37 LEU CB C 34 40.263 41.499 -1.236 1
1 460 . 7 1 1 A 37 37 LEU N N 34 116.847 121.276 -4.429 1
1 461 . 7 1 1 A 38 38 GLU H H 35 7.238 7.941 -0.703 1
1 462 . 7 1 1 A 38 38 GLU HA H 35 4.295 4.263 0.032 1
1 467 . 7 1 1 A 38 38 GLU C C 35 177.853 176.691 1.162 1
1 468 . 7 1 1 A 38 38 GLU CA C 35 57.900 57.808 0.092 1
1 469 . 7 1 1 A 38 38 GLU CB C 35 30.138 29.160 0.978 1
1 471 . 7 1 1 A 38 38 GLU N N 35 113.881 116.334 -2.453 1
1 472 . 7 1 1 A 39 39 SER H H 36 7.101 7.987 -0.886 1
1 473 . 7 1 1 A 39 39 SER HA H 36 4.518 4.792 -0.274 1
1 476 . 7 1 1 A 39 39 SER CA C 36 55.553 55.549 0.004 1
1 477 . 7 1 1 A 39 39 SER CB C 36 61.920 62.776 -0.856 1
1 478 . 7 1 1 A 39 39 SER N N 36 109.128 114.263 -5.135 1
1 479 . 7 1 1 A 40 40 PRO HA H 37 4.363 4.316 0.047 1
1 486 . 7 1 1 A 40 40 PRO C C 37 177.879 177.193 0.686 1
1 487 . 7 1 1 A 40 40 PRO CA C 37 64.705 63.917 0.788 1
1 488 . 7 1 1 A 40 40 PRO CB C 37 32.669 31.495 1.174 1
1 491 . 7 1 1 A 41 41 ARG H H 38 8.299 8.188 0.111 1
1 492 . 7 1 1 A 41 41 ARG HA H 38 3.183 3.800 -0.617 1
1 499 . 7 1 1 A 41 41 ARG C C 38 174.217 175.580 -1.363 1
1 500 . 7 1 1 A 41 41 ARG CA C 38 56.014 55.814 0.200 1
1 501 . 7 1 1 A 41 41 ARG CB C 38 29.571 29.730 -0.159 1
1 504 . 7 1 1 A 41 41 ARG N N 38 121.121 115.470 5.651 1
1 505 . 7 1 1 A 42 42 ILE H H 39 5.995 7.465 -1.470 1
1 506 . 7 1 1 A 42 42 ILE HA H 39 4.177 4.237 -0.060 1
1 516 . 7 1 1 A 42 42 ILE C C 39 176.295 177.629 -1.334 1
1 517 . 7 1 1 A 42 42 ILE CA C 39 59.389 61.468 -2.079 1
1 518 . 7 1 1 A 42 42 ILE CB C 39 39.138 36.996 2.142 1
1 522 . 7 1 1 A 42 42 ILE N N 39 128.247 122.107 6.140 1
1 523 . 7 1 1 A 43 43 GLU H H 40 8.893 8.907 -0.014 1
1 524 . 7 1 1 A 43 43 GLU HA H 40 4.174 4.153 0.021 1
1 529 . 7 1 1 A 43 43 GLU C C 40 178.918 178.680 0.238 1
1 530 . 7 1 1 A 43 43 GLU CA C 40 60.336 58.980 1.356 1
1 531 . 7 1 1 A 43 43 GLU CB C 40 29.100 29.091 0.009 1
1 533 . 7 1 1 A 43 43 GLU N N 40 130.055 127.788 2.267 1
1 534 . 7 1 1 A 44 44 ALA H H 41 8.851 7.971 0.880 1
1 535 . 7 1 1 A 44 44 ALA HA H 41 4.222 4.071 0.151 1
1 539 . 7 1 1 A 44 44 ALA C C 41 178.069 178.667 -0.598 1
1 540 . 7 1 1 A 44 44 ALA CA C 41 54.148 54.457 -0.309 1
1 541 . 7 1 1 A 44 44 ALA CB C 41 18.606 18.083 0.523 1
1 542 . 7 1 1 A 44 44 ALA N N 41 119.773 122.830 -3.057 1
1 543 . 7 1 1 A 45 45 ASN H H 42 8.176 7.894 0.282 1
1 544 . 7 1 1 A 45 45 ASN HA H 42 5.046 4.825 0.221 1
1 549 . 7 1 1 A 45 45 ASN C C 42 174.521 175.676 -1.155 1
1 550 . 7 1 1 A 45 45 ASN CA C 42 51.495 53.129 -1.634 1
1 551 . 7 1 1 A 45 45 ASN CB C 42 38.853 38.918 -0.065 1
1 552 . 7 1 1 A 45 45 ASN N N 42 114.425 113.974 0.451 1
1 554 . 7 1 1 A 46 46 LYS H H 43 7.524 7.393 0.131 1
1 555 . 7 1 1 A 46 46 LYS HA H 43 3.769 3.871 -0.102 1
1 564 . 7 1 1 A 46 46 LYS C C 43 176.143 176.418 -0.275 1
1 565 . 7 1 1 A 46 46 LYS CA C 43 56.858 56.739 0.119 1
1 566 . 7 1 1 A 46 46 LYS CB C 43 33.232 32.836 0.396 1
1 570 . 7 1 1 A 46 46 LYS N N 43 122.393 121.290 1.103 1
1 571 . 7 1 1 A 47 47 LEU H H 44 7.982 8.706 -0.724 1
1 572 . 7 1 1 A 47 47 LEU HA H 44 4.374 4.509 -0.135 1
1 582 . 7 1 1 A 47 47 LEU C C 44 176.143 178.096 -1.953 1
1 583 . 7 1 1 A 47 47 LEU CA C 44 53.746 54.172 -0.426 1
1 584 . 7 1 1 A 47 47 LEU CB C 44 41.951 42.221 -0.270 1
1 588 . 7 1 1 A 47 47 LEU N N 44 127.624 123.471 4.153 1
1 589 . 7 1 1 A 48 48 ARG H H 45 8.549 8.551 -0.002 1
1 590 . 7 1 1 A 48 48 ARG HA H 45 4.346 4.351 -0.005 1
1 597 . 7 1 1 A 48 48 ARG CA C 45 55.800 58.279 -2.479 1
1 598 . 7 1 1 A 48 48 ARG CB C 45 31.263 31.137 0.126 1
1 601 . 7 1 1 A 48 48 ARG N N 45 125.873 120.830 5.043 1
1 602 . 7 1 1 A 49 49 GLY H H 46 8.800 7.834 0.966 1
1 603 . 7 1 1 A 49 49 GLY HA2 H 46 3.760 4.040 -0.280 1
1 604 . 7 1 1 A 49 49 GLY HA3 H 46 4.070 4.043 0.027 1
1 605 . 7 1 1 A 49 49 GLY C C 46 173.482 172.884 0.598 1
1 606 . 7 1 1 A 49 49 GLY CA C 46 45.326 46.013 -0.687 1
1 607 . 7 1 1 A 49 49 GLY N N 46 111.980 106.701 5.279 1
1 608 . 7 1 1 A 50 50 MET H H 47 7.272 7.611 -0.339 1
1 609 . 7 1 1 A 50 50 MET HA H 47 4.921 4.941 -0.020 1
1 617 . 7 1 1 A 50 50 MET CA C 47 52.049 53.330 -1.281 1
1 618 . 7 1 1 A 50 50 MET CB C 47 33.794 35.882 -2.088 1
1 621 . 7 1 1 A 50 50 MET N N 47 119.077 118.809 0.268 1
1 622 . 7 1 1 A 51 51 PRO HA H 48 4.294 4.370 -0.076 1
1 629 . 7 1 1 A 51 51 PRO C C 48 176.460 176.909 -0.449 1
1 630 . 7 1 1 A 51 51 PRO CA C 48 63.879 63.522 0.357 1
1 631 . 7 1 1 A 51 51 PRO CB C 48 31.825 31.308 0.517 1
1 634 . 7 1 1 A 52 52 ASP H H 49 8.661 8.824 -0.163 1
1 635 . 7 1 1 A 52 52 ASP HA H 49 4.487 4.125 0.362 1
1 638 . 7 1 1 A 52 52 ASP C C 49 174.065 175.114 -1.049 1
1 639 . 7 1 1 A 52 52 ASP CA C 49 56.042 55.146 0.896 1
1 640 . 7 1 1 A 52 52 ASP CB C 49 41.107 39.911 1.196 1
1 641 . 7 1 1 A 52 52 ASP N N 49 116.477 116.838 -0.361 1
1 642 . 7 1 1 A 53 53 CYS H H 50 7.575 7.354 0.221 1
1 643 . 7 1 1 A 53 53 CYS HA H 50 5.835 5.319 0.516 1
1 646 . 7 1 1 A 53 53 CYS C C 50 173.444 173.271 0.173 1
1 647 . 7 1 1 A 53 53 CYS CA C 50 58.110 57.951 0.159 1
1 648 . 7 1 1 A 53 53 CYS CB C 50 30.700 29.701 0.999 1
1 649 . 7 1 1 A 53 53 CYS N N 50 114.414 117.350 -2.936 1
1 650 . 7 1 1 A 54 54 TYR H H 51 8.806 9.449 -0.643 1
1 651 . 7 1 1 A 54 54 TYR HA H 51 4.737 5.258 -0.521 1
1 658 . 7 1 1 A 54 54 TYR C C 51 172.950 174.079 -1.129 1
1 659 . 7 1 1 A 54 54 TYR CA C 51 56.066 56.162 -0.096 1
1 660 . 7 1 1 A 54 54 TYR CB C 51 42.794 43.461 -0.667 1
1 661 . 7 1 1 A 54 54 TYR N N 51 120.858 120.752 0.106 1
1 662 . 7 1 1 A 55 55 LYS H H 52 8.425 9.082 -0.657 1
1 663 . 7 1 1 A 55 55 LYS HA H 52 5.687 5.279 0.408 1
1 672 . 7 1 1 A 55 55 LYS C C 52 176.498 174.645 1.853 1
1 673 . 7 1 1 A 55 55 LYS CA C 52 53.291 54.225 -0.934 1
1 674 . 7 1 1 A 55 55 LYS CB C 52 36.325 36.046 0.279 1
1 678 . 7 1 1 A 55 55 LYS N N 52 115.794 118.330 -2.536 1
1 679 . 7 1 1 A 56 56 ILE H H 53 9.187 9.062 0.125 1
1 680 . 7 1 1 A 56 56 ILE HA H 53 4.416 4.734 -0.318 1
1 690 . 7 1 1 A 56 56 ILE C C 53 174.572 175.252 -0.680 1
1 691 . 7 1 1 A 56 56 ILE CA C 53 60.971 60.036 0.935 1
1 692 . 7 1 1 A 56 56 ILE CB C 53 41.388 39.720 1.668 1
1 696 . 7 1 1 A 56 56 ILE N N 53 120.315 123.795 -3.480 1
1 697 . 7 1 1 A 57 57 LYS H H 54 8.755 8.931 -0.176 1
1 698 . 7 1 1 A 57 57 LYS HA H 54 5.043 5.195 -0.152 1
1 707 . 7 1 1 A 57 57 LYS C C 54 175.193 175.093 0.100 1
1 708 . 7 1 1 A 57 57 LYS CA C 54 54.359 54.873 -0.514 1
1 709 . 7 1 1 A 57 57 LYS CB C 54 35.482 34.979 0.503 1
1 713 . 7 1 1 A 57 57 LYS N N 54 125.616 125.483 0.133 1
1 714 . 7 1 1 A 58 58 LEU H H 55 8.449 9.257 -0.808 1
1 715 . 7 1 1 A 58 58 LEU HA H 55 4.796 4.525 0.271 1
1 725 . 7 1 1 A 58 58 LEU CA C 55 53.201 54.335 -1.134 1
1 726 . 7 1 1 A 58 58 LEU CB C 55 41.669 41.351 0.318 1
1 730 . 7 1 1 A 58 58 LEU N N 55 124.214 125.565 -1.351 1
1 731 . 7 1 1 A 59 59 ARG HA H 56 4.008 3.960 0.048 1
1 738 . 7 1 1 A 59 59 ARG CA C 56 57.420 59.602 -2.182 1
1 739 . 7 1 1 A 59 59 ARG CB C 56 29.575 30.046 -0.471 1
1 742 . 7 1 1 A 60 60 SER HA H 57 4.246 4.231 0.015 1
1 745 . 7 1 1 A 60 60 SER CA C 57 59.798 62.160 -2.362 1
1 746 . 7 1 1 A 60 60 SER CB C 57 63.045 63.470 -0.425 1
1 747 . 7 1 1 A 61 61 SER HA H 58 4.616 4.491 0.125 1
1 750 . 7 1 1 A 61 61 SER C C 58 175.155 174.978 0.177 1
1 751 . 7 1 1 A 61 61 SER CA C 58 58.010 59.449 -1.439 1
1 752 . 7 1 1 A 61 61 SER CB C 58 64.452 63.536 0.916 1
1 753 . 7 1 1 A 62 62 GLY H H 59 8.217 8.554 -0.337 1
1 754 . 7 1 1 A 62 62 GLY HA2 H 59 3.926 3.927 -0.001 1
1 755 . 7 1 1 A 62 62 GLY HA3 H 59 4.010 3.931 0.079 1
1 756 . 7 1 1 A 62 62 GLY C C 59 174.407 174.417 -0.010 1
1 757 . 7 1 1 A 62 62 GLY CA C 59 45.888 45.704 0.184 1
1 758 . 7 1 1 A 62 62 GLY N N 59 109.272 109.246 0.026 1
1 759 . 7 1 1 A 63 63 TYR H H 60 7.463 8.056 -0.593 1
1 760 . 7 1 1 A 63 63 TYR HA H 60 4.629 4.589 0.040 1
1 767 . 7 1 1 A 63 63 TYR C C 60 175.117 175.400 -0.283 1
1 768 . 7 1 1 A 63 63 TYR CA C 60 59.857 58.046 1.811 1
1 769 . 7 1 1 A 63 63 TYR CB C 60 41.388 40.104 1.284 1
1 770 . 7 1 1 A 63 63 TYR N N 60 117.638 119.580 -1.942 1
1 771 . 7 1 1 A 64 64 ARG H H 61 9.261 9.643 -0.382 1
1 772 . 7 1 1 A 64 64 ARG HA H 61 5.458 5.562 -0.104 1
1 779 . 7 1 1 A 64 64 ARG C C 61 173.596 173.953 -0.357 1
1 780 . 7 1 1 A 64 64 ARG CA C 61 53.880 54.457 -0.577 1
1 781 . 7 1 1 A 64 64 ARG CB C 61 34.357 33.857 0.500 1
1 784 . 7 1 1 A 64 64 ARG N N 61 119.605 119.586 0.019 1
1 785 . 7 1 1 A 65 65 LEU H H 62 9.085 9.432 -0.347 1
1 786 . 7 1 1 A 65 65 LEU HA H 62 5.432 5.318 0.114 1
1 796 . 7 1 1 A 65 65 LEU C C 62 174.534 174.597 -0.063 1
1 797 . 7 1 1 A 65 65 LEU CA C 62 53.795 53.528 0.267 1
1 798 . 7 1 1 A 65 65 LEU CB C 62 46.732 45.594 1.138 1
1 802 . 7 1 1 A 65 65 LEU N N 62 125.189 123.731 1.458 1
1 803 . 7 1 1 A 66 66 VAL H H 63 9.058 9.019 0.039 1
1 804 . 7 1 1 A 66 66 VAL HA H 63 4.991 4.853 0.138 1
1 812 . 7 1 1 A 66 66 VAL C C 63 174.699 175.130 -0.431 1
1 813 . 7 1 1 A 66 66 VAL CA C 63 60.795 60.742 0.053 1
1 814 . 7 1 1 A 66 66 VAL CB C 63 34.075 32.626 1.449 1
1 817 . 7 1 1 A 66 66 VAL N N 63 125.140 126.847 -1.707 1
1 818 . 7 1 1 A 67 67 TYR H H 64 9.091 8.920 0.171 1
1 819 . 7 1 1 A 67 67 TYR HA H 64 5.659 5.601 0.058 1
1 826 . 7 1 1 A 67 67 TYR C C 64 170.910 173.006 -2.096 1
1 827 . 7 1 1 A 67 67 TYR CA C 64 54.286 54.992 -0.706 1
1 828 . 7 1 1 A 67 67 TYR CB C 64 41.951 41.848 0.103 1
1 829 . 7 1 1 A 67 67 TYR N N 64 124.150 124.159 -0.009 1
1 830 . 7 1 1 A 68 68 GLN H H 65 9.814 9.367 0.447 1
1 831 . 7 1 1 A 68 68 GLN HA H 65 5.510 5.581 -0.071 1
1 838 . 7 1 1 A 68 68 GLN C C 65 175.725 174.673 1.052 1
1 839 . 7 1 1 A 68 68 GLN CA C 65 53.092 54.585 -1.493 1
1 840 . 7 1 1 A 68 68 GLN CB C 65 32.600 31.165 1.435 1
1 842 . 7 1 1 A 68 68 GLN N N 65 123.050 119.129 3.921 1
1 844 . 7 1 1 A 69 69 VAL H H 66 9.198 9.464 -0.266 1
1 845 . 7 1 1 A 69 69 VAL HA H 66 4.369 4.520 -0.151 1
1 853 . 7 1 1 A 69 69 VAL C C 66 175.357 175.120 0.237 1
1 854 . 7 1 1 A 69 69 VAL CA C 66 63.045 61.998 1.047 1
1 855 . 7 1 1 A 69 69 VAL CB C 66 32.669 32.325 0.344 1
1 858 . 7 1 1 A 69 69 VAL N N 66 127.343 124.705 2.638 1
1 859 . 7 1 1 A 70 70 ILE H H 67 9.241 9.381 -0.140 1
1 860 . 7 1 1 A 70 70 ILE HA H 67 4.471 4.450 0.021 1
1 870 . 7 1 1 A 70 70 ILE C C 67 177.081 176.066 1.015 1
1 871 . 7 1 1 A 70 70 ILE CA C 67 59.716 60.868 -1.152 1
1 872 . 7 1 1 A 70 70 ILE CB C 67 37.169 37.007 0.162 1
1 876 . 7 1 1 A 70 70 ILE N N 67 129.254 127.498 1.756 1
1 877 . 7 1 1 A 71 71 ASP H H 68 9.374 8.737 0.637 1
1 878 . 7 1 1 A 71 71 ASP HA H 68 4.574 4.420 0.154 1
1 881 . 7 1 1 A 71 71 ASP C C 68 179.868 178.062 1.806 1
1 882 . 7 1 1 A 71 71 ASP CA C 68 58.797 57.847 0.950 1
1 883 . 7 1 1 A 71 71 ASP CB C 68 40.544 40.604 -0.060 1
1 884 . 7 1 1 A 71 71 ASP N N 68 129.133 128.822 0.311 1
1 885 . 7 1 1 A 72 72 GLU H H 69 9.631 8.231 1.400 1
1 886 . 7 1 1 A 72 72 GLU HA H 69 4.088 4.093 -0.005 1
1 891 . 7 1 1 A 72 72 GLU C C 69 176.865 177.813 -0.948 1
1 892 . 7 1 1 A 72 72 GLU CA C 69 59.670 59.374 0.296 1
1 893 . 7 1 1 A 72 72 GLU CB C 69 29.100 29.631 -0.531 1
1 895 . 7 1 1 A 72 72 GLU N N 69 118.880 118.697 0.183 1
1 896 . 7 1 1 A 73 73 LYS H H 70 6.582 7.728 -1.146 1
1 897 . 7 1 1 A 73 73 LYS HA H 70 4.474 4.399 0.075 1
1 906 . 7 1 1 A 73 73 LYS C C 70 173.964 175.521 -1.557 1
1 907 . 7 1 1 A 73 73 LYS CA C 70 54.604 55.872 -1.268 1
1 908 . 7 1 1 A 73 73 LYS CB C 70 34.075 32.939 1.136 1
1 912 . 7 1 1 A 73 73 LYS N N 70 114.014 117.158 -3.144 1
1 913 . 7 1 1 A 74 74 VAL H H 71 7.791 7.682 0.109 1
1 914 . 7 1 1 A 74 74 VAL HA H 71 2.948 3.523 -0.575 1
1 922 . 7 1 1 A 74 74 VAL C C 71 173.381 174.243 -0.862 1
1 923 . 7 1 1 A 74 74 VAL CA C 71 63.045 63.711 -0.666 1
1 924 . 7 1 1 A 74 74 VAL CB C 71 29.013 29.615 -0.602 1
1 927 . 7 1 1 A 74 74 VAL N N 71 119.301 116.180 3.121 1
1 928 . 7 1 1 A 75 75 VAL H H 72 7.736 7.916 -0.180 1
1 929 . 7 1 1 A 75 75 VAL HA H 72 5.159 5.005 0.154 1
1 937 . 7 1 1 A 75 75 VAL C C 72 175.028 173.911 1.117 1
1 938 . 7 1 1 A 75 75 VAL CA C 72 59.839 60.439 -0.600 1
1 939 . 7 1 1 A 75 75 VAL CB C 72 37.732 35.760 1.972 1
1 942 . 7 1 1 A 75 75 VAL N N 72 116.865 119.980 -3.115 1
1 943 . 7 1 1 A 76 76 VAL H H 73 9.006 9.289 -0.283 1
1 944 . 7 1 1 A 76 76 VAL HA H 73 4.190 4.674 -0.484 1
1 952 . 7 1 1 A 76 76 VAL C C 73 172.177 174.568 -2.391 1
1 953 . 7 1 1 A 76 76 VAL CA C 73 62.473 60.972 1.501 1
1 954 . 7 1 1 A 76 76 VAL CB C 73 32.388 32.437 -0.049 1
1 957 . 7 1 1 A 76 76 VAL N N 73 128.675 128.182 0.493 1
1 958 . 7 1 1 A 77 77 PHE H H 74 9.468 9.436 0.032 1
1 959 . 7 1 1 A 77 77 PHE HA H 74 5.019 5.181 -0.162 1
1 966 . 7 1 1 A 77 77 PHE C C 74 174.420 174.069 0.351 1
1 967 . 7 1 1 A 77 77 PHE CA C 74 54.378 55.555 -1.177 1
1 968 . 7 1 1 A 77 77 PHE CB C 74 42.230 40.801 1.429 1
1 969 . 7 1 1 A 77 77 PHE N N 74 130.014 128.514 1.500 1
1 970 . 7 1 1 A 78 78 VAL H H 75 8.990 8.979 0.011 1
1 971 . 7 1 1 A 78 78 VAL HA H 75 3.645 3.941 -0.296 1
1 979 . 7 1 1 A 78 78 VAL C C 75 174.813 175.295 -0.482 1
1 980 . 7 1 1 A 78 78 VAL CA C 75 64.452 63.523 0.929 1
1 981 . 7 1 1 A 78 78 VAL CB C 75 31.009 31.177 -0.168 1
1 984 . 7 1 1 A 78 78 VAL N N 75 128.474 127.296 1.178 1
1 985 . 7 1 1 A 79 79 ILE H H 76 8.679 9.098 -0.419 1
1 986 . 7 1 1 A 79 79 ILE HA H 76 4.171 3.910 0.261 1
1 996 . 7 1 1 A 79 79 ILE C C 76 176.092 175.878 0.214 1
1 997 . 7 1 1 A 79 79 ILE CA C 76 61.635 62.182 -0.547 1
1 998 . 7 1 1 A 79 79 ILE CB C 76 39.982 38.471 1.511 1
1 1002 . 7 1 1 A 79 79 ILE N N 76 122.334 128.656 -6.322 1
1 1003 . 7 1 1 A 80 80 SER H H 77 7.614 7.431 0.183 1
1 1004 . 7 1 1 A 80 80 SER HA H 77 4.724 4.789 -0.065 1
1 1007 . 7 1 1 A 80 80 SER C C 77 172.545 171.939 0.606 1
1 1008 . 7 1 1 A 80 80 SER CA C 77 57.849 57.466 0.383 1
1 1009 . 7 1 1 A 80 80 SER CB C 77 64.733 65.340 -0.607 1
1 1010 . 7 1 1 A 80 80 SER N N 77 113.369 112.447 0.922 1
1 1011 . 7 1 1 A 81 81 VAL H H 78 8.814 8.680 0.134 1
1 1012 . 7 1 1 A 81 81 VAL HA H 78 5.102 5.068 0.034 1
1 1020 . 7 1 1 A 81 81 VAL C C 78 173.761 174.518 -0.757 1
1 1021 . 7 1 1 A 81 81 VAL CA C 78 61.004 59.775 1.229 1
1 1022 . 7 1 1 A 81 81 VAL CB C 78 34.638 35.543 -0.905 1
1 1025 . 7 1 1 A 81 81 VAL N N 78 123.792 123.309 0.483 1
1 1026 . 7 1 1 A 82 82 GLY H H 79 8.628 8.515 0.113 1
1 1027 . 7 1 1 A 82 82 GLY HA2 H 79 4.365 4.308 0.057 1
1 1028 . 7 1 1 A 82 82 GLY HA3 H 79 4.214 4.488 -0.274 1
1 1029 . 7 1 1 A 82 82 GLY C C 79 171.201 172.037 -0.836 1
1 1030 . 7 1 1 A 82 82 GLY CA C 79 45.606 45.182 0.424 1
1 1031 . 7 1 1 A 82 82 GLY N N 79 111.112 113.912 -2.800 1
1 1032 . 7 1 1 A 83 83 LYS H H 80 8.670 8.218 0.452 1
1 1033 . 7 1 1 A 83 83 LYS HA H 80 4.205 4.551 -0.346 1
1 1042 . 7 1 1 A 83 83 LYS C C 80 176.080 175.600 0.480 1
1 1043 . 7 1 1 A 83 83 LYS CA C 80 55.451 54.134 1.317 1
1 1044 . 7 1 1 A 83 83 LYS CB C 80 32.665 34.643 -1.978 1
1 1048 . 7 1 1 A 83 83 LYS N N 80 120.943 122.468 -1.525 1
1 1049 . 7 1 1 A 84 84 ALA H H 81 8.049 8.458 -0.409 1
1 1050 . 7 1 1 A 84 84 ALA HA H 81 4.182 4.691 -0.509 1
1 1054 . 7 1 1 A 84 84 ALA C C 81 176.941 177.077 -0.136 1
1 1055 . 7 1 1 A 84 84 ALA CA C 81 52.248 50.896 1.352 1
1 1056 . 7 1 1 A 84 84 ALA CB C 81 19.450 19.978 -0.528 1
1 1057 . 7 1 1 A 84 84 ALA N N 81 125.262 123.488 1.774 1
1 1058 . 7 1 1 A 85 85 GLU H H 82 8.460 9.500 -1.040 1
1 1059 . 7 1 1 A 85 85 GLU HA H 82 4.230 4.667 -0.437 1
1 1064 . 7 1 1 A 85 85 GLU C C 82 176.599 177.146 -0.547 1
1 1065 . 7 1 1 A 85 85 GLU CA C 82 56.446 56.951 -0.505 1
1 1066 . 7 1 1 A 85 85 GLU CB C 82 29.853 32.571 -2.718 1
1 1068 . 7 1 1 A 85 85 GLU N N 82 119.296 123.306 -4.010 1
1 1069 . 7 1 1 A 86 86 ALA H H 83 8.403 8.104 0.299 1
1 1070 . 7 1 1 A 86 86 ALA HA H 83 4.149 4.540 -0.391 1
1 1074 . 7 1 1 A 86 86 ALA C C 83 177.777 176.639 1.138 1
1 1075 . 7 1 1 A 86 86 ALA CA C 83 53.448 51.086 2.362 1
1 1076 . 7 1 1 A 86 86 ALA CB C 83 18.887 18.664 0.223 1
1 1077 . 7 1 1 A 86 86 ALA N N 83 124.833 119.776 5.057 1
1 1078 . 7 1 1 A 87 87 SER H H 84 8.301 8.297 0.004 1
1 1079 . 7 1 1 A 87 87 SER HA H 84 4.297 4.512 -0.215 1
1 1082 . 7 1 1 A 87 87 SER C C 84 175.370 174.149 1.221 1
1 1083 . 7 1 1 A 87 87 SER N N 84 113.395 110.220 3.175 1
1 1084 . 7 1 1 A 88 88 GLU H H 85 8.271 8.122 0.149 1
1 1085 . 7 1 1 A 88 88 GLU HA H 85 4.239 4.032 0.207 1
1 1090 . 7 1 1 A 88 88 GLU C C 85 177.081 178.915 -1.834 1
1 1091 . 7 1 1 A 88 88 GLU CA C 85 57.140 59.482 -2.342 1
1 1092 . 7 1 1 A 88 88 GLU CB C 85 29.856 29.094 0.762 1
1 1094 . 7 1 1 A 88 88 GLU N N 85 122.554 119.831 2.723 1
1 1095 . 7 1 1 A 89 89 VAL H H 86 7.833 7.810 0.023 1
1 1096 . 7 1 1 A 89 89 VAL HA H 86 3.895 4.107 -0.212 1
1 1104 . 7 1 1 A 89 89 VAL C C 86 177.172 177.728 -0.556 1
1 1105 . 7 1 1 A 89 89 VAL CA C 86 63.045 65.566 -2.521 1
1 1106 . 7 1 1 A 89 89 VAL CB C 86 32.107 31.195 0.912 1
1 1109 . 7 1 1 A 89 89 VAL N N 86 119.916 116.528 3.388 1
1 1110 . 7 1 1 A 90 90 TYR H H 87 8.142 7.744 0.398 1
1 1111 . 7 1 1 A 90 90 TYR HA H 87 4.479 4.291 0.188 1
1 1118 . 7 1 1 A 90 90 TYR C C 87 176.637 178.484 -1.847 1
1 1119 . 7 1 1 A 90 90 TYR CA C 87 58.545 60.657 -2.112 1
1 1120 . 7 1 1 A 90 90 TYR CB C 87 37.732 38.479 -0.747 1
1 1121 . 7 1 1 A 90 90 TYR N N 87 122.303 122.120 0.183 1
1 1122 . 7 1 1 A 91 91 SER H H 88 8.090 8.525 -0.435 1
1 1123 . 7 1 1 A 91 91 SER HA H 88 4.335 4.235 0.100 1
1 1126 . 7 1 1 A 91 91 SER C C 88 176.130 176.805 -0.675 1
1 1127 . 7 1 1 A 91 91 SER CA C 88 59.899 61.902 -2.003 1
1 1128 . 7 1 1 A 91 91 SER CB C 88 62.483 62.760 -0.277 1
1 1129 . 7 1 1 A 91 91 SER N N 88 115.828 116.100 -0.272 1
1 1130 . 7 1 1 A 92 92 GLU H H 89 8.234 7.562 0.672 1
1 1131 . 7 1 1 A 92 92 GLU HA H 89 4.213 4.057 0.156 1
1 1136 . 7 1 1 A 92 92 GLU C C 89 177.600 179.069 -1.469 1
1 1137 . 7 1 1 A 92 92 GLU CA C 89 57.701 58.785 -1.084 1
1 1138 . 7 1 1 A 92 92 GLU CB C 89 29.575 29.031 0.544 1
1 1140 . 7 1 1 A 92 92 GLU N N 89 121.225 121.435 -0.210 1
1 1141 . 7 1 1 A 93 93 ALA H H 90 7.960 7.804 0.156 1
1 1142 . 7 1 1 A 93 93 ALA HA H 90 4.025 4.109 -0.084 1
1 1146 . 7 1 1 A 93 93 ALA C C 90 178.550 179.370 -0.820 1
1 1147 . 7 1 1 A 93 93 ALA CA C 90 54.225 55.092 -0.867 1
1 1148 . 7 1 1 A 93 93 ALA CB C 90 18.325 18.638 -0.313 1
1 1149 . 7 1 1 A 93 93 ALA N N 90 122.055 123.217 -1.162 1
1 1150 . 7 1 1 A 94 94 VAL H H 91 7.799 8.353 -0.554 1
1 1151 . 7 1 1 A 94 94 VAL HA H 91 3.818 3.866 -0.048 1
1 1159 . 7 1 1 A 94 94 VAL CA C 91 64.167 65.241 -1.074 1
1 1160 . 7 1 1 A 94 94 VAL CB C 91 31.825 31.190 0.635 1
1 1163 . 7 1 1 A 94 94 VAL N N 91 115.727 117.230 -1.503 1
1 1164 . 7 1 1 A 95 95 LYS H H 92 7.764 7.922 -0.158 1
1 1165 . 7 1 1 A 95 95 LYS HA H 92 4.197 4.252 -0.055 1
1 1174 . 7 1 1 A 95 95 LYS C C 92 177.600 177.752 -0.152 1
1 1175 . 7 1 1 A 95 95 LYS CA C 92 57.139 59.044 -1.905 1
1 1176 . 7 1 1 A 95 95 LYS CB C 92 32.600 32.415 0.185 1
1 1180 . 7 1 1 A 95 95 LYS N N 92 120.823 122.095 -1.272 1
1 1181 . 7 1 1 A 96 96 ARG H H 93 7.970 7.837 0.133 1
1 1182 . 7 1 1 A 96 96 ARG HA H 93 4.341 4.300 0.041 1
1 1189 . 7 1 1 A 96 96 ARG C C 93 179.703 176.674 3.029 1
1 1190 . 7 1 1 A 96 96 ARG CA C 93 56.295 57.726 -1.431 1
1 1191 . 7 1 1 A 96 96 ARG CB C 93 31.400 30.327 1.073 1
1 1194 . 7 1 1 A 96 96 ARG N N 93 119.070 119.141 -0.071 1
1 1195 . 7 1 1 A 97 97 ILE H H 94 8.012 7.126 0.886 1
1 1196 . 7 1 1 A 97 97 ILE HA H 94 4.216 4.159 0.057 1
1 1206 . 7 1 1 A 97 97 ILE C C 94 175.509 174.808 0.701 1
1 1207 . 7 1 1 A 97 97 ILE CA C 94 61.362 61.292 0.070 1
1 1208 . 7 1 1 A 97 97 ILE CB C 94 38.576 36.812 1.764 1
1 1212 . 7 1 1 A 97 97 ILE N N 94 120.512 121.912 -1.400 1
1 16 . 8 1 1 A 5 5 ALA H H 2 8.084 8.867 -0.783 1
1 17 . 8 1 1 A 5 5 ALA HA H 2 4.423 5.741 -1.318 1
1 21 . 8 1 1 A 5 5 ALA C C 2 176.536 176.435 0.101 1
1 22 . 8 1 1 A 5 5 ALA CA C 2 51.634 50.412 1.222 1
1 23 . 8 1 1 A 5 5 ALA CB C 2 19.439 20.515 -1.076 1
1 24 . 8 1 1 A 5 5 ALA N N 2 125.284 128.814 -3.530 1
1 25 . 8 1 1 A 6 6 TYR H H 3 8.406 8.613 -0.207 1
1 26 . 8 1 1 A 6 6 TYR HA H 3 4.312 4.763 -0.451 1
1 33 . 8 1 1 A 6 6 TYR C C 3 175.433 175.615 -0.182 1
1 34 . 8 1 1 A 6 6 TYR CA C 3 57.701 56.751 0.950 1
1 35 . 8 1 1 A 6 6 TYR CB C 3 39.701 41.279 -1.578 1
1 36 . 8 1 1 A 6 6 TYR N N 3 120.887 121.099 -0.212 1
1 37 . 8 1 1 A 7 7 PHE H H 4 8.703 9.281 -0.578 1
1 38 . 8 1 1 A 7 7 PHE HA H 4 4.645 4.789 -0.144 1
1 45 . 8 1 1 A 7 7 PHE C C 4 173.812 174.714 -0.902 1
1 46 . 8 1 1 A 7 7 PHE CA C 4 56.853 57.585 -0.732 1
1 47 . 8 1 1 A 7 7 PHE CB C 4 40.541 40.215 0.326 1
1 48 . 8 1 1 A 7 7 PHE N N 4 119.295 119.943 -0.648 1
1 49 . 8 1 1 A 8 8 LEU H H 5 8.255 8.627 -0.372 1
1 50 . 8 1 1 A 8 8 LEU HA H 5 4.985 4.896 0.089 1
1 60 . 8 1 1 A 8 8 LEU C C 5 174.927 173.852 1.075 1
1 61 . 8 1 1 A 8 8 LEU CA C 5 53.544 53.376 0.168 1
1 62 . 8 1 1 A 8 8 LEU CB C 5 44.201 45.426 -1.225 1
1 66 . 8 1 1 A 8 8 LEU N N 5 124.516 123.077 1.439 1
1 67 . 8 1 1 A 9 9 ASP H H 6 9.047 8.888 0.159 1
1 68 . 8 1 1 A 9 9 ASP HA H 6 5.089 4.890 0.199 1
1 71 . 8 1 1 A 9 9 ASP C C 6 173.216 174.560 -1.344 1
1 72 . 8 1 1 A 9 9 ASP CA C 6 52.278 52.237 0.041 1
1 73 . 8 1 1 A 9 9 ASP CB C 6 45.326 45.353 -0.027 1
1 74 . 8 1 1 A 9 9 ASP N N 6 126.171 124.625 1.546 1
1 75 . 8 1 1 A 10 10 PHE H H 7 8.891 8.863 0.028 1
1 76 . 8 1 1 A 10 10 PHE HA H 7 4.545 4.951 -0.406 1
1 83 . 8 1 1 A 10 10 PHE C C 7 175.218 175.203 0.015 1
1 84 . 8 1 1 A 10 10 PHE CA C 7 56.243 56.819 -0.576 1
1 85 . 8 1 1 A 10 10 PHE CB C 7 43.638 41.045 2.593 1
1 86 . 8 1 1 A 10 10 PHE N N 7 119.178 119.214 -0.036 1
1 87 . 8 1 1 A 11 11 ASP H H 8 8.124 8.768 -0.644 1
1 88 . 8 1 1 A 11 11 ASP HA H 8 4.551 4.511 0.040 1
1 91 . 8 1 1 A 11 11 ASP C C 8 177.157 177.585 -0.428 1
1 92 . 8 1 1 A 11 11 ASP CA C 8 54.315 54.941 -0.626 1
1 93 . 8 1 1 A 11 11 ASP CB C 8 44.201 42.621 1.580 1
1 94 . 8 1 1 A 11 11 ASP N N 8 123.305 124.210 -0.905 1
1 95 . 8 1 1 A 12 12 GLU H H 9 9.197 8.925 0.272 1
1 96 . 8 1 1 A 12 12 GLU HA H 9 4.016 4.153 -0.137 1
1 101 . 8 1 1 A 12 12 GLU C C 9 178.880 178.588 0.292 1
1 102 . 8 1 1 A 12 12 GLU CA C 9 60.365 59.201 1.164 1
1 103 . 8 1 1 A 12 12 GLU CB C 9 29.670 29.155 0.515 1
1 105 . 8 1 1 A 12 12 GLU N N 9 127.082 124.443 2.639 1
1 106 . 8 1 1 A 13 13 ARG H H 10 8.949 8.443 0.506 1
1 107 . 8 1 1 A 13 13 ARG HA H 10 4.097 4.052 0.045 1
1 114 . 8 1 1 A 13 13 ARG C C 10 179.273 178.885 0.388 1
1 115 . 8 1 1 A 13 13 ARG CA C 10 58.924 59.212 -0.288 1
1 116 . 8 1 1 A 13 13 ARG CB C 10 30.138 30.059 0.079 1
1 119 . 8 1 1 A 13 13 ARG N N 10 119.265 119.212 0.053 1
1 120 . 8 1 1 A 14 14 ALA H H 11 7.451 8.086 -0.635 1
1 121 . 8 1 1 A 14 14 ALA HA H 11 4.685 4.193 0.492 1
1 125 . 8 1 1 A 14 14 ALA C C 11 179.564 179.980 -0.416 1
1 126 . 8 1 1 A 14 14 ALA CA C 11 53.705 54.998 -1.293 1
1 127 . 8 1 1 A 14 14 ALA CB C 11 18.325 18.575 -0.250 1
1 128 . 8 1 1 A 14 14 ALA N N 11 122.421 122.380 0.041 1
1 129 . 8 1 1 A 15 15 LEU H H 12 8.683 8.493 0.190 1
1 130 . 8 1 1 A 15 15 LEU HA H 12 3.877 4.045 -0.168 1
1 140 . 8 1 1 A 15 15 LEU C C 12 178.550 179.072 -0.522 1
1 141 . 8 1 1 A 15 15 LEU CA C 12 57.139 57.287 -0.148 1
1 142 . 8 1 1 A 15 15 LEU CB C 12 41.103 41.736 -0.633 1
1 146 . 8 1 1 A 15 15 LEU N N 12 120.118 120.572 -0.454 1
1 147 . 8 1 1 A 16 16 LYS H H 13 7.345 7.907 -0.562 1
1 148 . 8 1 1 A 16 16 LYS HA H 13 3.995 3.949 0.046 1
1 157 . 8 1 1 A 16 16 LYS C C 13 179.678 179.897 -0.219 1
1 158 . 8 1 1 A 16 16 LYS CA C 13 59.700 60.450 -0.750 1
1 159 . 8 1 1 A 16 16 LYS CB C 13 32.388 32.027 0.361 1
1 163 . 8 1 1 A 16 16 LYS N N 13 117.725 119.835 -2.110 1
1 164 . 8 1 1 A 17 17 GLU H H 14 7.453 7.754 -0.301 1
1 165 . 8 1 1 A 17 17 GLU HA H 14 4.016 4.108 -0.092 1
1 170 . 8 1 1 A 17 17 GLU C C 14 179.589 179.048 0.541 1
1 171 . 8 1 1 A 17 17 GLU CA C 14 58.841 59.126 -0.285 1
1 172 . 8 1 1 A 17 17 GLU CB C 14 29.298 29.460 -0.162 1
1 174 . 8 1 1 A 17 17 GLU N N 14 118.019 119.814 -1.795 1
1 175 . 8 1 1 A 18 18 TRP H H 15 9.081 8.640 0.441 1
1 176 . 8 1 1 A 18 18 TRP HA H 15 4.174 4.201 -0.027 1
1 183 . 8 1 1 A 18 18 TRP C C 15 178.360 178.327 0.033 1
1 184 . 8 1 1 A 18 18 TRP CA C 15 59.938 61.131 -1.193 1
1 185 . 8 1 1 A 18 18 TRP CB C 15 30.241 29.421 0.820 1
1 186 . 8 1 1 A 18 18 TRP N N 15 122.628 121.854 0.774 1
1 188 . 8 1 1 A 19 19 ARG H H 16 8.197 8.171 0.026 1
1 189 . 8 1 1 A 19 19 ARG HA H 16 3.863 4.116 -0.253 1
1 196 . 8 1 1 A 19 19 ARG C C 16 177.030 178.908 -1.878 1
1 197 . 8 1 1 A 19 19 ARG CA C 16 58.516 58.643 -0.127 1
1 198 . 8 1 1 A 19 19 ARG CB C 16 30.300 30.003 0.297 1
1 201 . 8 1 1 A 19 19 ARG N N 16 115.582 118.441 -2.859 1
1 202 . 8 1 1 A 20 20 LYS H H 17 7.308 7.584 -0.276 1
1 203 . 8 1 1 A 20 20 LYS HA H 17 4.238 4.106 0.132 1
1 212 . 8 1 1 A 20 20 LYS C C 17 177.043 177.189 -0.146 1
1 213 . 8 1 1 A 20 20 LYS CA C 17 56.270 58.818 -2.548 1
1 214 . 8 1 1 A 20 20 LYS CB C 17 32.300 31.770 0.530 1
1 218 . 8 1 1 A 20 20 LYS N N 17 116.689 119.570 -2.881 1
1 219 . 8 1 1 A 21 21 LEU H H 18 6.998 7.087 -0.089 1
1 220 . 8 1 1 A 21 21 LEU HA H 18 4.026 4.274 -0.248 1
1 230 . 8 1 1 A 21 21 LEU C C 18 177.676 177.290 0.386 1
1 231 . 8 1 1 A 21 21 LEU CA C 18 54.567 54.776 -0.209 1
1 232 . 8 1 1 A 21 21 LEU CB C 18 43.357 41.864 1.493 1
1 236 . 8 1 1 A 21 21 LEU N N 18 118.778 121.292 -2.514 1
1 237 . 8 1 1 A 22 22 GLY H H 19 8.370 8.233 0.137 1
1 238 . 8 1 1 A 22 22 GLY HA2 H 19 4.064 4.005 0.059 1
1 239 . 8 1 1 A 22 22 GLY HA3 H 19 3.845 4.015 -0.170 1
1 240 . 8 1 1 A 22 22 GLY C C 19 174.813 174.866 -0.053 1
1 241 . 8 1 1 A 22 22 GLY CA C 19 45.045 44.335 0.710 1
1 242 . 8 1 1 A 22 22 GLY N N 19 107.490 109.288 -1.798 1
1 243 . 8 1 1 A 23 23 SER H H 20 8.675 8.479 0.196 1
1 244 . 8 1 1 A 23 23 SER HA H 20 4.288 4.449 -0.161 1
1 247 . 8 1 1 A 23 23 SER CA C 20 58.981 60.130 -1.149 1
1 248 . 8 1 1 A 23 23 SER CB C 20 63.045 64.229 -1.184 1
1 249 . 8 1 1 A 23 23 SER N N 20 117.877 118.957 -1.080 1
1 250 . 8 1 1 A 24 24 THR H H 21 8.216 7.927 0.289 1
1 251 . 8 1 1 A 24 24 THR HA H 21 3.983 3.966 0.017 1
1 256 . 8 1 1 A 24 24 THR C C 21 176.510 176.687 -0.177 1
1 257 . 8 1 1 A 24 24 THR CA C 21 65.858 66.791 -0.933 1
1 258 . 8 1 1 A 24 24 THR CB C 21 67.941 68.771 -0.830 1
1 260 . 8 1 1 A 24 24 THR N N 21 115.680 116.021 -0.341 1
1 261 . 8 1 1 A 25 25 VAL H H 22 7.143 7.826 -0.683 1
1 262 . 8 1 1 A 25 25 VAL HA H 22 3.545 3.314 0.231 1
1 270 . 8 1 1 A 25 25 VAL C C 22 177.613 177.663 -0.050 1
1 271 . 8 1 1 A 25 25 VAL CA C 22 65.577 66.685 -1.108 1
1 272 . 8 1 1 A 25 25 VAL CB C 22 31.544 31.074 0.470 1
1 275 . 8 1 1 A 25 25 VAL N N 22 122.443 121.303 1.140 1
1 276 . 8 1 1 A 26 26 ARG H H 23 7.840 7.882 -0.042 1
1 277 . 8 1 1 A 26 26 ARG HA H 23 3.156 3.703 -0.547 1
1 284 . 8 1 1 A 26 26 ARG C C 23 177.790 178.372 -0.582 1
1 285 . 8 1 1 A 26 26 ARG CA C 23 59.951 58.468 1.483 1
1 286 . 8 1 1 A 26 26 ARG CB C 23 29.590 28.911 0.679 1
1 289 . 8 1 1 A 26 26 ARG N N 23 119.146 119.759 -0.613 1
1 290 . 8 1 1 A 27 27 GLU H H 24 8.159 8.638 -0.479 1
1 291 . 8 1 1 A 27 27 GLU HA H 24 3.970 4.073 -0.103 1
1 296 . 8 1 1 A 27 27 GLU C C 24 179.577 179.452 0.125 1
1 297 . 8 1 1 A 27 27 GLU CA C 24 59.400 59.111 0.289 1
1 298 . 8 1 1 A 27 27 GLU CB C 24 29.013 29.283 -0.270 1
1 300 . 8 1 1 A 27 27 GLU N N 24 116.672 118.474 -1.802 1
1 301 . 8 1 1 A 28 28 GLN H H 25 7.693 7.547 0.146 1
1 302 . 8 1 1 A 28 28 GLN HA H 25 4.094 4.072 0.022 1
1 309 . 8 1 1 A 28 28 GLN C C 25 179.919 179.231 0.688 1
1 310 . 8 1 1 A 28 28 GLN CA C 25 59.108 58.458 0.650 1
1 311 . 8 1 1 A 28 28 GLN CB C 25 29.575 28.351 1.224 1
1 313 . 8 1 1 A 28 28 GLN N N 25 118.482 118.606 -0.124 1
1 315 . 8 1 1 A 29 29 LEU H H 26 8.441 8.354 0.087 1
1 316 . 8 1 1 A 29 29 LEU HA H 26 4.096 4.139 -0.043 1
1 326 . 8 1 1 A 29 29 LEU C C 26 178.804 179.394 -0.590 1
1 327 . 8 1 1 A 29 29 LEU CA C 26 57.983 58.100 -0.117 1
1 328 . 8 1 1 A 29 29 LEU CB C 26 42.513 41.436 1.077 1
1 332 . 8 1 1 A 29 29 LEU N N 26 119.907 120.148 -0.241 1
1 333 . 8 1 1 A 30 30 LYS H H 27 9.233 8.905 0.328 1
1 334 . 8 1 1 A 30 30 LYS HA H 27 4.076 4.195 -0.119 1
1 343 . 8 1 1 A 30 30 LYS C C 27 178.056 178.703 -0.647 1
1 344 . 8 1 1 A 30 30 LYS CA C 27 60.233 59.825 0.408 1
1 345 . 8 1 1 A 30 30 LYS CB C 27 32.103 32.692 -0.589 1
1 349 . 8 1 1 A 30 30 LYS N N 27 120.508 120.445 0.063 1
1 350 . 8 1 1 A 31 31 LYS H H 28 7.698 7.425 0.273 1
1 351 . 8 1 1 A 31 31 LYS HA H 28 4.056 4.110 -0.054 1
1 360 . 8 1 1 A 31 31 LYS C C 28 179.539 179.397 0.142 1
1 361 . 8 1 1 A 31 31 LYS CA C 28 59.596 59.845 -0.249 1
1 362 . 8 1 1 A 31 31 LYS CB C 28 32.400 32.170 0.230 1
1 366 . 8 1 1 A 31 31 LYS N N 28 117.412 118.236 -0.824 1
1 367 . 8 1 1 A 32 32 LYS H H 29 7.347 7.673 -0.326 1
1 368 . 8 1 1 A 32 32 LYS HA H 29 4.230 4.039 0.191 1
1 377 . 8 1 1 A 32 32 LYS C C 29 179.057 179.153 -0.096 1
1 378 . 8 1 1 A 32 32 LYS CA C 29 57.553 59.525 -1.972 1
1 379 . 8 1 1 A 32 32 LYS CB C 29 32.103 32.429 -0.326 1
1 383 . 8 1 1 A 32 32 LYS N N 29 116.983 120.052 -3.069 1
1 384 . 8 1 1 A 33 33 LEU H H 30 8.663 8.031 0.632 1
1 385 . 8 1 1 A 33 33 LEU HA H 30 3.844 3.952 -0.108 1
1 395 . 8 1 1 A 33 33 LEU C C 30 177.765 179.229 -1.464 1
1 396 . 8 1 1 A 33 33 LEU CA C 30 57.420 57.905 -0.485 1
1 397 . 8 1 1 A 33 33 LEU CB C 30 42.513 41.660 0.853 1
1 401 . 8 1 1 A 33 33 LEU N N 30 121.134 120.005 1.129 1
1 402 . 8 1 1 A 34 34 VAL H H 31 8.185 8.343 -0.158 1
1 403 . 8 1 1 A 34 34 VAL HA H 31 3.548 3.716 -0.168 1
1 411 . 8 1 1 A 34 34 VAL C C 31 178.639 177.469 1.170 1
1 412 . 8 1 1 A 34 34 VAL CA C 31 66.702 65.117 1.585 1
1 413 . 8 1 1 A 34 34 VAL CB C 31 31.544 31.318 0.226 1
1 416 . 8 1 1 A 34 34 VAL N N 31 117.076 119.560 -2.484 1
1 417 . 8 1 1 A 35 35 GLU H H 32 7.143 8.241 -1.098 1
1 418 . 8 1 1 A 35 35 GLU HA H 32 4.093 4.069 0.024 1
1 423 . 8 1 1 A 35 35 GLU C C 32 179.450 178.634 0.816 1
1 424 . 8 1 1 A 35 35 GLU CA C 32 58.264 59.057 -0.793 1
1 425 . 8 1 1 A 35 35 GLU CB C 32 29.575 29.213 0.362 1
1 427 . 8 1 1 A 35 35 GLU N N 32 117.290 119.854 -2.564 1
1 428 . 8 1 1 A 36 36 VAL H H 33 7.659 8.138 -0.479 1
1 429 . 8 1 1 A 36 36 VAL HA H 33 3.774 3.819 -0.045 1
1 437 . 8 1 1 A 36 36 VAL C C 33 176.929 177.629 -0.700 1
1 438 . 8 1 1 A 36 36 VAL CA C 33 63.889 65.112 -1.223 1
1 439 . 8 1 1 A 36 36 VAL CB C 33 31.825 31.157 0.668 1
1 442 . 8 1 1 A 36 36 VAL N N 33 118.056 119.695 -1.639 1
1 443 . 8 1 1 A 37 37 LEU H H 34 7.679 7.819 -0.140 1
1 444 . 8 1 1 A 37 37 LEU HA H 34 3.619 3.828 -0.209 1
1 454 . 8 1 1 A 37 37 LEU C C 34 177.968 179.446 -1.478 1
1 455 . 8 1 1 A 37 37 LEU CA C 34 57.420 57.187 0.233 1
1 456 . 8 1 1 A 37 37 LEU CB C 34 40.263 41.216 -0.953 1
1 460 . 8 1 1 A 37 37 LEU N N 34 116.847 120.998 -4.151 1
1 461 . 8 1 1 A 38 38 GLU H H 35 7.238 8.688 -1.450 1
1 462 . 8 1 1 A 38 38 GLU HA H 35 4.295 4.164 0.131 1
1 467 . 8 1 1 A 38 38 GLU C C 35 177.853 176.735 1.118 1
1 468 . 8 1 1 A 38 38 GLU CA C 35 57.900 58.487 -0.587 1
1 469 . 8 1 1 A 38 38 GLU CB C 35 30.138 28.845 1.293 1
1 471 . 8 1 1 A 38 38 GLU N N 35 113.881 117.269 -3.388 1
1 472 . 8 1 1 A 39 39 SER H H 36 7.101 7.931 -0.830 1
1 473 . 8 1 1 A 39 39 SER HA H 36 4.518 4.917 -0.399 1
1 476 . 8 1 1 A 39 39 SER CA C 36 55.553 55.591 -0.038 1
1 477 . 8 1 1 A 39 39 SER CB C 36 61.920 63.201 -1.281 1
1 478 . 8 1 1 A 39 39 SER N N 36 109.128 115.768 -6.640 1
1 479 . 8 1 1 A 40 40 PRO HA H 37 4.363 4.366 -0.003 1
1 486 . 8 1 1 A 40 40 PRO C C 37 177.879 177.054 0.825 1
1 487 . 8 1 1 A 40 40 PRO CA C 37 64.705 63.587 1.118 1
1 488 . 8 1 1 A 40 40 PRO CB C 37 32.669 32.215 0.454 1
1 491 . 8 1 1 A 41 41 ARG H H 38 8.299 8.164 0.135 1
1 492 . 8 1 1 A 41 41 ARG HA H 38 3.183 4.058 -0.875 1
1 499 . 8 1 1 A 41 41 ARG C C 38 174.217 175.856 -1.639 1
1 500 . 8 1 1 A 41 41 ARG CA C 38 56.014 55.897 0.117 1
1 501 . 8 1 1 A 41 41 ARG CB C 38 29.571 29.722 -0.151 1
1 504 . 8 1 1 A 41 41 ARG N N 38 121.121 115.802 5.319 1
1 505 . 8 1 1 A 42 42 ILE H H 39 5.995 7.324 -1.329 1
1 506 . 8 1 1 A 42 42 ILE HA H 39 4.177 4.344 -0.167 1
1 516 . 8 1 1 A 42 42 ILE C C 39 176.295 177.499 -1.204 1
1 517 . 8 1 1 A 42 42 ILE CA C 39 59.389 61.429 -2.040 1
1 518 . 8 1 1 A 42 42 ILE CB C 39 39.138 36.723 2.415 1
1 522 . 8 1 1 A 42 42 ILE N N 39 128.247 122.427 5.820 1
1 523 . 8 1 1 A 43 43 GLU H H 40 8.893 8.903 -0.010 1
1 524 . 8 1 1 A 43 43 GLU HA H 40 4.174 4.072 0.102 1
1 529 . 8 1 1 A 43 43 GLU C C 40 178.918 178.279 0.639 1
1 530 . 8 1 1 A 43 43 GLU CA C 40 60.336 59.010 1.326 1
1 531 . 8 1 1 A 43 43 GLU CB C 40 29.100 29.098 0.002 1
1 533 . 8 1 1 A 43 43 GLU N N 40 130.055 127.623 2.432 1
1 534 . 8 1 1 A 44 44 ALA H H 41 8.851 7.728 1.123 1
1 535 . 8 1 1 A 44 44 ALA HA H 41 4.222 4.144 0.078 1
1 539 . 8 1 1 A 44 44 ALA C C 41 178.069 178.017 0.052 1
1 540 . 8 1 1 A 44 44 ALA CA C 41 54.148 53.906 0.242 1
1 541 . 8 1 1 A 44 44 ALA CB C 41 18.606 18.327 0.279 1
1 542 . 8 1 1 A 44 44 ALA N N 41 119.773 122.107 -2.334 1
1 543 . 8 1 1 A 45 45 ASN H H 42 8.176 8.263 -0.087 1
1 544 . 8 1 1 A 45 45 ASN HA H 42 5.046 4.801 0.245 1
1 549 . 8 1 1 A 45 45 ASN C C 42 174.521 175.095 -0.574 1
1 550 . 8 1 1 A 45 45 ASN CA C 42 51.495 52.996 -1.501 1
1 551 . 8 1 1 A 45 45 ASN CB C 42 38.853 39.772 -0.919 1
1 552 . 8 1 1 A 45 45 ASN N N 42 114.425 114.534 -0.109 1
1 554 . 8 1 1 A 46 46 LYS H H 43 7.524 7.253 0.271 1
1 555 . 8 1 1 A 46 46 LYS HA H 43 3.769 3.956 -0.187 1
1 564 . 8 1 1 A 46 46 LYS C C 43 176.143 176.070 0.073 1
1 565 . 8 1 1 A 46 46 LYS CA C 43 56.858 55.637 1.221 1
1 566 . 8 1 1 A 46 46 LYS CB C 43 33.232 32.970 0.262 1
1 570 . 8 1 1 A 46 46 LYS N N 43 122.393 121.872 0.521 1
1 571 . 8 1 1 A 47 47 LEU H H 44 7.982 8.948 -0.966 1
1 572 . 8 1 1 A 47 47 LEU HA H 44 4.374 4.558 -0.184 1
1 582 . 8 1 1 A 47 47 LEU C C 44 176.143 176.148 -0.005 1
1 583 . 8 1 1 A 47 47 LEU CA C 44 53.746 53.929 -0.183 1
1 584 . 8 1 1 A 47 47 LEU CB C 44 41.951 41.824 0.127 1
1 588 . 8 1 1 A 47 47 LEU N N 44 127.624 126.196 1.428 1
1 589 . 8 1 1 A 48 48 ARG H H 45 8.549 8.669 -0.120 1
1 590 . 8 1 1 A 48 48 ARG HA H 45 4.346 4.344 0.002 1
1 597 . 8 1 1 A 48 48 ARG CA C 45 55.800 56.611 -0.811 1
1 598 . 8 1 1 A 48 48 ARG CB C 45 31.263 30.184 1.079 1
1 601 . 8 1 1 A 48 48 ARG N N 45 125.873 124.314 1.559 1
1 602 . 8 1 1 A 49 49 GLY H H 46 8.800 8.704 0.096 1
1 603 . 8 1 1 A 49 49 GLY HA2 H 46 3.760 3.955 -0.195 1
1 604 . 8 1 1 A 49 49 GLY HA3 H 46 4.070 3.959 0.111 1
1 605 . 8 1 1 A 49 49 GLY C C 46 173.482 173.601 -0.119 1
1 606 . 8 1 1 A 49 49 GLY CA C 46 45.326 45.234 0.092 1
1 607 . 8 1 1 A 49 49 GLY N N 46 111.980 112.262 -0.282 1
1 608 . 8 1 1 A 50 50 MET H H 47 7.272 7.361 -0.089 1
1 609 . 8 1 1 A 50 50 MET HA H 47 4.921 4.916 0.005 1
1 617 . 8 1 1 A 50 50 MET CA C 47 52.049 52.714 -0.665 1
1 618 . 8 1 1 A 50 50 MET CB C 47 33.794 34.796 -1.002 1
1 621 . 8 1 1 A 50 50 MET N N 47 119.077 120.203 -1.126 1
1 622 . 8 1 1 A 51 51 PRO HA H 48 4.294 4.435 -0.141 1
1 629 . 8 1 1 A 51 51 PRO C C 48 176.460 176.916 -0.456 1
1 630 . 8 1 1 A 51 51 PRO CA C 48 63.879 63.188 0.691 1
1 631 . 8 1 1 A 51 51 PRO CB C 48 31.825 30.903 0.922 1
1 634 . 8 1 1 A 52 52 ASP H H 49 8.661 8.493 0.168 1
1 635 . 8 1 1 A 52 52 ASP HA H 49 4.487 4.156 0.331 1
1 638 . 8 1 1 A 52 52 ASP C C 49 174.065 175.070 -1.005 1
1 639 . 8 1 1 A 52 52 ASP CA C 49 56.042 55.055 0.987 1
1 640 . 8 1 1 A 52 52 ASP CB C 49 41.107 39.910 1.197 1
1 641 . 8 1 1 A 52 52 ASP N N 49 116.477 117.154 -0.677 1
1 642 . 8 1 1 A 53 53 CYS H H 50 7.575 7.847 -0.272 1
1 643 . 8 1 1 A 53 53 CYS HA H 50 5.835 5.267 0.568 1
1 646 . 8 1 1 A 53 53 CYS C C 50 173.444 173.373 0.071 1
1 647 . 8 1 1 A 53 53 CYS CA C 50 58.110 58.053 0.057 1
1 648 . 8 1 1 A 53 53 CYS CB C 50 30.700 29.883 0.817 1
1 649 . 8 1 1 A 53 53 CYS N N 50 114.414 117.625 -3.211 1
1 650 . 8 1 1 A 54 54 TYR H H 51 8.806 9.450 -0.644 1
1 651 . 8 1 1 A 54 54 TYR HA H 51 4.737 5.341 -0.604 1
1 658 . 8 1 1 A 54 54 TYR C C 51 172.950 173.963 -1.013 1
1 659 . 8 1 1 A 54 54 TYR CA C 51 56.066 56.251 -0.185 1
1 660 . 8 1 1 A 54 54 TYR CB C 51 42.794 43.288 -0.494 1
1 661 . 8 1 1 A 54 54 TYR N N 51 120.858 120.813 0.045 1
1 662 . 8 1 1 A 55 55 LYS H H 52 8.425 8.832 -0.407 1
1 663 . 8 1 1 A 55 55 LYS HA H 52 5.687 5.183 0.504 1
1 672 . 8 1 1 A 55 55 LYS C C 52 176.498 174.619 1.879 1
1 673 . 8 1 1 A 55 55 LYS CA C 52 53.291 54.362 -1.071 1
1 674 . 8 1 1 A 55 55 LYS CB C 52 36.325 36.141 0.184 1
1 678 . 8 1 1 A 55 55 LYS N N 52 115.794 118.000 -2.206 1
1 679 . 8 1 1 A 56 56 ILE H H 53 9.187 9.141 0.046 1
1 680 . 8 1 1 A 56 56 ILE HA H 53 4.416 4.883 -0.467 1
1 690 . 8 1 1 A 56 56 ILE C C 53 174.572 174.876 -0.304 1
1 691 . 8 1 1 A 56 56 ILE CA C 53 60.971 60.122 0.849 1
1 692 . 8 1 1 A 56 56 ILE CB C 53 41.388 40.739 0.649 1
1 696 . 8 1 1 A 56 56 ILE N N 53 120.315 123.454 -3.139 1
1 697 . 8 1 1 A 57 57 LYS H H 54 8.755 8.868 -0.113 1
1 698 . 8 1 1 A 57 57 LYS HA H 54 5.043 5.013 0.030 1
1 707 . 8 1 1 A 57 57 LYS C C 54 175.193 175.213 -0.020 1
1 708 . 8 1 1 A 57 57 LYS CA C 54 54.359 55.285 -0.926 1
1 709 . 8 1 1 A 57 57 LYS CB C 54 35.482 34.183 1.299 1
1 713 . 8 1 1 A 57 57 LYS N N 54 125.616 126.025 -0.409 1
1 714 . 8 1 1 A 58 58 LEU H H 55 8.449 9.197 -0.748 1
1 715 . 8 1 1 A 58 58 LEU HA H 55 4.796 4.542 0.254 1
1 725 . 8 1 1 A 58 58 LEU CA C 55 53.201 54.859 -1.658 1
1 726 . 8 1 1 A 58 58 LEU CB C 55 41.669 41.869 -0.200 1
1 730 . 8 1 1 A 58 58 LEU N N 55 124.214 125.661 -1.447 1
1 731 . 8 1 1 A 59 59 ARG HA H 56 4.008 4.096 -0.088 1
1 738 . 8 1 1 A 59 59 ARG CA C 56 57.420 58.865 -1.445 1
1 739 . 8 1 1 A 59 59 ARG CB C 56 29.575 29.908 -0.333 1
1 742 . 8 1 1 A 60 60 SER HA H 57 4.246 4.476 -0.230 1
1 745 . 8 1 1 A 60 60 SER CA C 57 59.798 59.001 0.797 1
1 746 . 8 1 1 A 60 60 SER CB C 57 63.045 62.813 0.232 1
1 747 . 8 1 1 A 61 61 SER HA H 58 4.616 4.798 -0.182 1
1 750 . 8 1 1 A 61 61 SER C C 58 175.155 175.092 0.063 1
1 751 . 8 1 1 A 61 61 SER CA C 58 58.010 59.583 -1.573 1
1 752 . 8 1 1 A 61 61 SER CB C 58 64.452 65.958 -1.506 1
1 753 . 8 1 1 A 62 62 GLY H H 59 8.217 8.657 -0.440 1
1 754 . 8 1 1 A 62 62 GLY HA2 H 59 3.926 4.032 -0.106 1
1 755 . 8 1 1 A 62 62 GLY HA3 H 59 4.010 4.041 -0.031 1
1 756 . 8 1 1 A 62 62 GLY C C 59 174.407 174.250 0.157 1
1 757 . 8 1 1 A 62 62 GLY CA C 59 45.888 45.446 0.442 1
1 758 . 8 1 1 A 62 62 GLY N N 59 109.272 108.879 0.393 1
1 759 . 8 1 1 A 63 63 TYR H H 60 7.463 8.014 -0.551 1
1 760 . 8 1 1 A 63 63 TYR HA H 60 4.629 4.572 0.057 1
1 767 . 8 1 1 A 63 63 TYR C C 60 175.117 175.119 -0.002 1
1 768 . 8 1 1 A 63 63 TYR CA C 60 59.857 57.919 1.938 1
1 769 . 8 1 1 A 63 63 TYR CB C 60 41.388 40.062 1.326 1
1 770 . 8 1 1 A 63 63 TYR N N 60 117.638 119.065 -1.427 1
1 771 . 8 1 1 A 64 64 ARG H H 61 9.261 9.225 0.036 1
1 772 . 8 1 1 A 64 64 ARG HA H 61 5.458 5.155 0.303 1
1 779 . 8 1 1 A 64 64 ARG C C 61 173.596 174.645 -1.049 1
1 780 . 8 1 1 A 64 64 ARG CA C 61 53.880 54.822 -0.942 1
1 781 . 8 1 1 A 64 64 ARG CB C 61 34.357 33.374 0.983 1
1 784 . 8 1 1 A 64 64 ARG N N 61 119.605 121.184 -1.579 1
1 785 . 8 1 1 A 65 65 LEU H H 62 9.085 9.181 -0.096 1
1 786 . 8 1 1 A 65 65 LEU HA H 62 5.432 5.249 0.183 1
1 796 . 8 1 1 A 65 65 LEU C C 62 174.534 174.585 -0.051 1
1 797 . 8 1 1 A 65 65 LEU CA C 62 53.795 54.017 -0.222 1
1 798 . 8 1 1 A 65 65 LEU CB C 62 46.732 45.787 0.945 1
1 802 . 8 1 1 A 65 65 LEU N N 62 125.189 125.377 -0.188 1
1 803 . 8 1 1 A 66 66 VAL H H 63 9.058 9.342 -0.284 1
1 804 . 8 1 1 A 66 66 VAL HA H 63 4.991 5.076 -0.085 1
1 812 . 8 1 1 A 66 66 VAL C C 63 174.699 174.979 -0.280 1
1 813 . 8 1 1 A 66 66 VAL CA C 63 60.795 60.679 0.116 1
1 814 . 8 1 1 A 66 66 VAL CB C 63 34.075 33.450 0.625 1
1 817 . 8 1 1 A 66 66 VAL N N 63 125.140 126.641 -1.501 1
1 818 . 8 1 1 A 67 67 TYR H H 64 9.091 8.993 0.098 1
1 819 . 8 1 1 A 67 67 TYR HA H 64 5.659 5.628 0.031 1
1 826 . 8 1 1 A 67 67 TYR C C 64 170.910 173.075 -2.165 1
1 827 . 8 1 1 A 67 67 TYR CA C 64 54.286 55.051 -0.765 1
1 828 . 8 1 1 A 67 67 TYR CB C 64 41.951 41.897 0.054 1
1 829 . 8 1 1 A 67 67 TYR N N 64 124.150 123.891 0.259 1
1 830 . 8 1 1 A 68 68 GLN H H 65 9.814 9.434 0.380 1
1 831 . 8 1 1 A 68 68 GLN HA H 65 5.510 5.548 -0.038 1
1 838 . 8 1 1 A 68 68 GLN C C 65 175.725 174.831 0.894 1
1 839 . 8 1 1 A 68 68 GLN CA C 65 53.092 54.595 -1.503 1
1 840 . 8 1 1 A 68 68 GLN CB C 65 32.600 31.197 1.403 1
1 842 . 8 1 1 A 68 68 GLN N N 65 123.050 119.128 3.922 1
1 844 . 8 1 1 A 69 69 VAL H H 66 9.198 9.549 -0.351 1
1 845 . 8 1 1 A 69 69 VAL HA H 66 4.369 4.588 -0.219 1
1 853 . 8 1 1 A 69 69 VAL C C 66 175.357 175.009 0.348 1
1 854 . 8 1 1 A 69 69 VAL CA C 66 63.045 61.633 1.412 1
1 855 . 8 1 1 A 69 69 VAL CB C 66 32.669 32.601 0.068 1
1 858 . 8 1 1 A 69 69 VAL N N 66 127.343 123.880 3.463 1
1 859 . 8 1 1 A 70 70 ILE H H 67 9.241 9.290 -0.049 1
1 860 . 8 1 1 A 70 70 ILE HA H 67 4.471 4.451 0.020 1
1 870 . 8 1 1 A 70 70 ILE C C 67 177.081 176.209 0.872 1
1 871 . 8 1 1 A 70 70 ILE CA C 67 59.716 60.916 -1.200 1
1 872 . 8 1 1 A 70 70 ILE CB C 67 37.169 37.370 -0.201 1
1 876 . 8 1 1 A 70 70 ILE N N 67 129.254 127.703 1.551 1
1 877 . 8 1 1 A 71 71 ASP H H 68 9.374 8.859 0.515 1
1 878 . 8 1 1 A 71 71 ASP HA H 68 4.574 4.421 0.153 1
1 881 . 8 1 1 A 71 71 ASP C C 68 179.868 177.858 2.010 1
1 882 . 8 1 1 A 71 71 ASP CA C 68 58.797 58.192 0.605 1
1 883 . 8 1 1 A 71 71 ASP CB C 68 40.544 40.739 -0.195 1
1 884 . 8 1 1 A 71 71 ASP N N 68 129.133 129.609 -0.476 1
1 885 . 8 1 1 A 72 72 GLU H H 69 9.631 8.276 1.355 1
1 886 . 8 1 1 A 72 72 GLU HA H 69 4.088 4.118 -0.030 1
1 891 . 8 1 1 A 72 72 GLU C C 69 176.865 178.404 -1.539 1
1 892 . 8 1 1 A 72 72 GLU CA C 69 59.670 59.128 0.542 1
1 893 . 8 1 1 A 72 72 GLU CB C 69 29.100 29.588 -0.488 1
1 895 . 8 1 1 A 72 72 GLU N N 69 118.880 119.182 -0.302 1
1 896 . 8 1 1 A 73 73 LYS H H 70 6.582 7.760 -1.178 1
1 897 . 8 1 1 A 73 73 LYS HA H 70 4.474 4.401 0.073 1
1 906 . 8 1 1 A 73 73 LYS C C 70 173.964 175.659 -1.695 1
1 907 . 8 1 1 A 73 73 LYS CA C 70 54.604 56.091 -1.487 1
1 908 . 8 1 1 A 73 73 LYS CB C 70 34.075 32.860 1.215 1
1 912 . 8 1 1 A 73 73 LYS N N 70 114.014 117.209 -3.195 1
1 913 . 8 1 1 A 74 74 VAL H H 71 7.791 7.572 0.219 1
1 914 . 8 1 1 A 74 74 VAL HA H 71 2.948 3.340 -0.392 1
1 922 . 8 1 1 A 74 74 VAL C C 71 173.381 174.203 -0.822 1
1 923 . 8 1 1 A 74 74 VAL CA C 71 63.045 63.486 -0.441 1
1 924 . 8 1 1 A 74 74 VAL CB C 71 29.013 29.462 -0.449 1
1 927 . 8 1 1 A 74 74 VAL N N 71 119.301 116.568 2.733 1
1 928 . 8 1 1 A 75 75 VAL H H 72 7.736 7.803 -0.067 1
1 929 . 8 1 1 A 75 75 VAL HA H 72 5.159 4.892 0.267 1
1 937 . 8 1 1 A 75 75 VAL C C 72 175.028 173.192 1.836 1
1 938 . 8 1 1 A 75 75 VAL CA C 72 59.839 60.252 -0.413 1
1 939 . 8 1 1 A 75 75 VAL CB C 72 37.732 35.381 2.351 1
1 942 . 8 1 1 A 75 75 VAL N N 72 116.865 119.897 -3.032 1
1 943 . 8 1 1 A 76 76 VAL H H 73 9.006 9.168 -0.162 1
1 944 . 8 1 1 A 76 76 VAL HA H 73 4.190 5.006 -0.816 1
1 952 . 8 1 1 A 76 76 VAL C C 73 172.177 174.557 -2.380 1
1 953 . 8 1 1 A 76 76 VAL CA C 73 62.473 60.864 1.609 1
1 954 . 8 1 1 A 76 76 VAL CB C 73 32.388 32.795 -0.407 1
1 957 . 8 1 1 A 76 76 VAL N N 73 128.675 127.570 1.105 1
1 958 . 8 1 1 A 77 77 PHE H H 74 9.468 9.221 0.247 1
1 959 . 8 1 1 A 77 77 PHE HA H 74 5.019 5.468 -0.449 1
1 966 . 8 1 1 A 77 77 PHE C C 74 174.420 175.251 -0.831 1
1 967 . 8 1 1 A 77 77 PHE CA C 74 54.378 56.499 -2.121 1
1 968 . 8 1 1 A 77 77 PHE CB C 74 42.230 40.561 1.669 1
1 969 . 8 1 1 A 77 77 PHE N N 74 130.014 126.102 3.912 1
1 970 . 8 1 1 A 78 78 VAL H H 75 8.990 9.154 -0.164 1
1 971 . 8 1 1 A 78 78 VAL HA H 75 3.645 4.162 -0.517 1
1 979 . 8 1 1 A 78 78 VAL C C 75 174.813 175.789 -0.976 1
1 980 . 8 1 1 A 78 78 VAL CA C 75 64.452 63.969 0.483 1
1 981 . 8 1 1 A 78 78 VAL CB C 75 31.009 31.512 -0.503 1
1 984 . 8 1 1 A 78 78 VAL N N 75 128.474 125.486 2.988 1
1 985 . 8 1 1 A 79 79 ILE H H 76 8.679 9.382 -0.703 1
1 986 . 8 1 1 A 79 79 ILE HA H 76 4.171 4.259 -0.088 1
1 996 . 8 1 1 A 79 79 ILE C C 76 176.092 176.269 -0.177 1
1 997 . 8 1 1 A 79 79 ILE CA C 76 61.635 62.493 -0.858 1
1 998 . 8 1 1 A 79 79 ILE CB C 76 39.982 38.577 1.405 1
1 1002 . 8 1 1 A 79 79 ILE N N 76 122.334 129.326 -6.992 1
1 1003 . 8 1 1 A 80 80 SER H H 77 7.614 7.965 -0.351 1
1 1004 . 8 1 1 A 80 80 SER HA H 77 4.724 5.027 -0.303 1
1 1007 . 8 1 1 A 80 80 SER C C 77 172.545 172.996 -0.451 1
1 1008 . 8 1 1 A 80 80 SER CA C 77 57.849 57.303 0.546 1
1 1009 . 8 1 1 A 80 80 SER CB C 77 64.733 66.168 -1.435 1
1 1010 . 8 1 1 A 80 80 SER N N 77 113.369 112.587 0.782 1
1 1011 . 8 1 1 A 81 81 VAL H H 78 8.814 8.797 0.017 1
1 1012 . 8 1 1 A 81 81 VAL HA H 78 5.102 5.206 -0.104 1
1 1020 . 8 1 1 A 81 81 VAL C C 78 173.761 174.553 -0.792 1
1 1021 . 8 1 1 A 81 81 VAL CA C 78 61.004 59.791 1.213 1
1 1022 . 8 1 1 A 81 81 VAL CB C 78 34.638 35.858 -1.220 1
1 1025 . 8 1 1 A 81 81 VAL N N 78 123.792 120.173 3.619 1
1 1026 . 8 1 1 A 82 82 GLY H H 79 8.628 8.490 0.138 1
1 1027 . 8 1 1 A 82 82 GLY HA2 H 79 4.365 4.308 0.057 1
1 1028 . 8 1 1 A 82 82 GLY HA3 H 79 4.214 4.452 -0.238 1
1 1029 . 8 1 1 A 82 82 GLY C C 79 171.201 171.983 -0.782 1
1 1030 . 8 1 1 A 82 82 GLY CA C 79 45.606 45.316 0.290 1
1 1031 . 8 1 1 A 82 82 GLY N N 79 111.112 113.536 -2.424 1
1 1032 . 8 1 1 A 83 83 LYS H H 80 8.670 8.161 0.509 1
1 1033 . 8 1 1 A 83 83 LYS HA H 80 4.205 4.893 -0.688 1
1 1042 . 8 1 1 A 83 83 LYS C C 80 176.080 175.108 0.972 1
1 1043 . 8 1 1 A 83 83 LYS CA C 80 55.451 54.080 1.371 1
1 1044 . 8 1 1 A 83 83 LYS CB C 80 32.665 35.602 -2.937 1
1 1048 . 8 1 1 A 83 83 LYS N N 80 120.943 122.411 -1.468 1
1 1049 . 8 1 1 A 84 84 ALA H H 81 8.049 8.390 -0.341 1
1 1050 . 8 1 1 A 84 84 ALA HA H 81 4.182 4.989 -0.807 1
1 1054 . 8 1 1 A 84 84 ALA C C 81 176.941 176.773 0.168 1
1 1055 . 8 1 1 A 84 84 ALA CA C 81 52.248 51.014 1.234 1
1 1056 . 8 1 1 A 84 84 ALA CB C 81 19.450 22.104 -2.654 1
1 1057 . 8 1 1 A 84 84 ALA N N 81 125.262 122.036 3.226 1
1 1058 . 8 1 1 A 85 85 GLU H H 82 8.460 9.411 -0.951 1
1 1059 . 8 1 1 A 85 85 GLU HA H 82 4.230 4.426 -0.196 1
1 1064 . 8 1 1 A 85 85 GLU C C 82 176.599 176.796 -0.197 1
1 1065 . 8 1 1 A 85 85 GLU CA C 82 56.446 57.964 -1.518 1
1 1066 . 8 1 1 A 85 85 GLU CB C 82 29.853 31.307 -1.454 1
1 1068 . 8 1 1 A 85 85 GLU N N 82 119.296 123.511 -4.215 1
1 1069 . 8 1 1 A 86 86 ALA H H 83 8.403 8.596 -0.193 1
1 1070 . 8 1 1 A 86 86 ALA HA H 83 4.149 4.592 -0.443 1
1 1074 . 8 1 1 A 86 86 ALA C C 83 177.777 177.331 0.446 1
1 1075 . 8 1 1 A 86 86 ALA CA C 83 53.448 53.394 0.054 1
1 1076 . 8 1 1 A 86 86 ALA CB C 83 18.887 21.387 -2.500 1
1 1077 . 8 1 1 A 86 86 ALA N N 83 124.833 119.822 5.011 1
1 1078 . 8 1 1 A 87 87 SER H H 84 8.301 7.999 0.302 1
1 1079 . 8 1 1 A 87 87 SER HA H 84 4.297 5.014 -0.717 1
1 1082 . 8 1 1 A 87 87 SER C C 84 175.370 174.787 0.583 1
1 1083 . 8 1 1 A 87 87 SER N N 84 113.395 110.854 2.541 1
1 1084 . 8 1 1 A 88 88 GLU H H 85 8.271 8.199 0.072 1
1 1085 . 8 1 1 A 88 88 GLU HA H 85 4.239 4.057 0.182 1
1 1090 . 8 1 1 A 88 88 GLU C C 85 177.081 179.293 -2.212 1
1 1091 . 8 1 1 A 88 88 GLU CA C 85 57.140 59.351 -2.211 1
1 1092 . 8 1 1 A 88 88 GLU CB C 85 29.856 29.347 0.509 1
1 1094 . 8 1 1 A 88 88 GLU N N 85 122.554 122.393 0.161 1
1 1095 . 8 1 1 A 89 89 VAL H H 86 7.833 7.956 -0.123 1
1 1096 . 8 1 1 A 89 89 VAL HA H 86 3.895 3.749 0.146 1
1 1104 . 8 1 1 A 89 89 VAL C C 86 177.172 177.689 -0.517 1
1 1105 . 8 1 1 A 89 89 VAL CA C 86 63.045 65.491 -2.446 1
1 1106 . 8 1 1 A 89 89 VAL CB C 86 32.107 31.091 1.016 1
1 1109 . 8 1 1 A 89 89 VAL N N 86 119.916 116.990 2.926 1
1 1110 . 8 1 1 A 90 90 TYR H H 87 8.142 7.490 0.652 1
1 1111 . 8 1 1 A 90 90 TYR HA H 87 4.479 4.310 0.169 1
1 1118 . 8 1 1 A 90 90 TYR C C 87 176.637 178.346 -1.709 1
1 1119 . 8 1 1 A 90 90 TYR CA C 87 58.545 60.722 -2.177 1
1 1120 . 8 1 1 A 90 90 TYR CB C 87 37.732 38.518 -0.786 1
1 1121 . 8 1 1 A 90 90 TYR N N 87 122.303 122.122 0.181 1
1 1122 . 8 1 1 A 91 91 SER H H 88 8.090 8.125 -0.035 1
1 1123 . 8 1 1 A 91 91 SER HA H 88 4.335 4.264 0.071 1
1 1126 . 8 1 1 A 91 91 SER C C 88 176.130 176.901 -0.771 1
1 1127 . 8 1 1 A 91 91 SER CA C 88 59.899 61.712 -1.813 1
1 1128 . 8 1 1 A 91 91 SER CB C 88 62.483 62.864 -0.381 1
1 1129 . 8 1 1 A 91 91 SER N N 88 115.828 116.095 -0.267 1
1 1130 . 8 1 1 A 92 92 GLU H H 89 8.234 8.150 0.084 1
1 1131 . 8 1 1 A 92 92 GLU HA H 89 4.213 4.109 0.104 1
1 1136 . 8 1 1 A 92 92 GLU C C 89 177.600 179.309 -1.709 1
1 1137 . 8 1 1 A 92 92 GLU CA C 89 57.701 58.816 -1.115 1
1 1138 . 8 1 1 A 92 92 GLU CB C 89 29.575 28.797 0.778 1
1 1140 . 8 1 1 A 92 92 GLU N N 89 121.225 121.343 -0.118 1
1 1141 . 8 1 1 A 93 93 ALA H H 90 7.960 7.716 0.244 1
1 1142 . 8 1 1 A 93 93 ALA HA H 90 4.025 4.113 -0.088 1
1 1146 . 8 1 1 A 93 93 ALA C C 90 178.550 179.573 -1.023 1
1 1147 . 8 1 1 A 93 93 ALA CA C 90 54.225 55.145 -0.920 1
1 1148 . 8 1 1 A 93 93 ALA CB C 90 18.325 18.404 -0.079 1
1 1149 . 8 1 1 A 93 93 ALA N N 90 122.055 123.102 -1.047 1
1 1150 . 8 1 1 A 94 94 VAL H H 91 7.799 7.986 -0.187 1
1 1151 . 8 1 1 A 94 94 VAL HA H 91 3.818 3.924 -0.106 1
1 1159 . 8 1 1 A 94 94 VAL CA C 91 64.167 64.838 -0.671 1
1 1160 . 8 1 1 A 94 94 VAL CB C 91 31.825 31.537 0.288 1
1 1163 . 8 1 1 A 94 94 VAL N N 91 115.727 116.867 -1.140 1
1 1164 . 8 1 1 A 95 95 LYS H H 92 7.764 8.162 -0.398 1
1 1165 . 8 1 1 A 95 95 LYS HA H 92 4.197 4.070 0.127 1
1 1174 . 8 1 1 A 95 95 LYS C C 92 177.600 177.993 -0.393 1
1 1175 . 8 1 1 A 95 95 LYS CA C 92 57.139 59.327 -2.188 1
1 1176 . 8 1 1 A 95 95 LYS CB C 92 32.600 31.934 0.666 1
1 1180 . 8 1 1 A 95 95 LYS N N 92 120.823 121.570 -0.747 1
1 1181 . 8 1 1 A 96 96 ARG H H 93 7.970 7.727 0.243 1
1 1182 . 8 1 1 A 96 96 ARG HA H 93 4.341 4.155 0.186 1
1 1189 . 8 1 1 A 96 96 ARG C C 93 179.703 178.176 1.527 1
1 1190 . 8 1 1 A 96 96 ARG CA C 93 56.295 58.599 -2.304 1
1 1191 . 8 1 1 A 96 96 ARG CB C 93 31.400 30.192 1.208 1
1 1194 . 8 1 1 A 96 96 ARG N N 93 119.070 119.746 -0.676 1
1 1195 . 8 1 1 A 97 97 ILE H H 94 8.012 7.730 0.282 1
1 1196 . 8 1 1 A 97 97 ILE HA H 94 4.216 4.013 0.203 1
1 1206 . 8 1 1 A 97 97 ILE C C 94 175.509 176.860 -1.351 1
1 1207 . 8 1 1 A 97 97 ILE CA C 94 61.362 63.253 -1.891 1
1 1208 . 8 1 1 A 97 97 ILE CB C 94 38.576 38.876 -0.300 1
1 1212 . 8 1 1 A 97 97 ILE N N 94 120.512 118.832 1.680 1
1 16 . 9 1 1 A 5 5 ALA H H 2 8.084 8.535 -0.451 1
1 17 . 9 1 1 A 5 5 ALA HA H 2 4.423 5.427 -1.004 1
1 21 . 9 1 1 A 5 5 ALA C C 2 176.536 175.421 1.115 1
1 22 . 9 1 1 A 5 5 ALA CA C 2 51.634 50.288 1.346 1
1 23 . 9 1 1 A 5 5 ALA CB C 2 19.439 23.535 -4.096 1
1 24 . 9 1 1 A 5 5 ALA N N 2 125.284 125.045 0.239 1
1 25 . 9 1 1 A 6 6 TYR H H 3 8.406 8.798 -0.392 1
1 26 . 9 1 1 A 6 6 TYR HA H 3 4.312 4.967 -0.655 1
1 33 . 9 1 1 A 6 6 TYR C C 3 175.433 174.909 0.524 1
1 34 . 9 1 1 A 6 6 TYR CA C 3 57.701 56.044 1.657 1
1 35 . 9 1 1 A 6 6 TYR CB C 3 39.701 42.762 -3.061 1
1 36 . 9 1 1 A 6 6 TYR N N 3 120.887 118.265 2.622 1
1 37 . 9 1 1 A 7 7 PHE H H 4 8.703 9.203 -0.500 1
1 38 . 9 1 1 A 7 7 PHE HA H 4 4.645 5.030 -0.385 1
1 45 . 9 1 1 A 7 7 PHE C C 4 173.812 175.566 -1.754 1
1 46 . 9 1 1 A 7 7 PHE CA C 4 56.853 57.286 -0.433 1
1 47 . 9 1 1 A 7 7 PHE CB C 4 40.541 41.415 -0.874 1
1 48 . 9 1 1 A 7 7 PHE N N 4 119.295 119.510 -0.215 1
1 49 . 9 1 1 A 8 8 LEU H H 5 8.255 8.615 -0.360 1
1 50 . 9 1 1 A 8 8 LEU HA H 5 4.985 5.066 -0.081 1
1 60 . 9 1 1 A 8 8 LEU C C 5 174.927 174.864 0.063 1
1 61 . 9 1 1 A 8 8 LEU CA C 5 53.544 53.567 -0.023 1
1 62 . 9 1 1 A 8 8 LEU CB C 5 44.201 43.675 0.526 1
1 66 . 9 1 1 A 8 8 LEU N N 5 124.516 121.761 2.755 1
1 67 . 9 1 1 A 9 9 ASP H H 6 9.047 8.543 0.504 1
1 68 . 9 1 1 A 9 9 ASP HA H 6 5.089 5.471 -0.382 1
1 71 . 9 1 1 A 9 9 ASP C C 6 173.216 173.887 -0.671 1
1 72 . 9 1 1 A 9 9 ASP CA C 6 52.278 52.937 -0.659 1
1 73 . 9 1 1 A 9 9 ASP CB C 6 45.326 45.047 0.279 1
1 74 . 9 1 1 A 9 9 ASP N N 6 126.171 124.494 1.677 1
1 75 . 9 1 1 A 10 10 PHE H H 7 8.891 8.959 -0.068 1
1 76 . 9 1 1 A 10 10 PHE HA H 7 4.545 4.763 -0.218 1
1 83 . 9 1 1 A 10 10 PHE C C 7 175.218 174.221 0.997 1
1 84 . 9 1 1 A 10 10 PHE CA C 7 56.243 56.266 -0.023 1
1 85 . 9 1 1 A 10 10 PHE CB C 7 43.638 42.419 1.219 1
1 86 . 9 1 1 A 10 10 PHE N N 7 119.178 121.129 -1.951 1
1 87 . 9 1 1 A 11 11 ASP H H 8 8.124 8.271 -0.147 1
1 88 . 9 1 1 A 11 11 ASP HA H 8 4.551 4.758 -0.207 1
1 91 . 9 1 1 A 11 11 ASP C C 8 177.157 177.413 -0.256 1
1 92 . 9 1 1 A 11 11 ASP CA C 8 54.315 54.274 0.041 1
1 93 . 9 1 1 A 11 11 ASP CB C 8 44.201 42.650 1.551 1
1 94 . 9 1 1 A 11 11 ASP N N 8 123.305 124.002 -0.697 1
1 95 . 9 1 1 A 12 12 GLU H H 9 9.197 9.001 0.196 1
1 96 . 9 1 1 A 12 12 GLU HA H 9 4.016 4.117 -0.101 1
1 101 . 9 1 1 A 12 12 GLU C C 9 178.880 178.717 0.163 1
1 102 . 9 1 1 A 12 12 GLU CA C 9 60.365 59.224 1.141 1
1 103 . 9 1 1 A 12 12 GLU CB C 9 29.670 29.218 0.452 1
1 105 . 9 1 1 A 12 12 GLU N N 9 127.082 123.216 3.866 1
1 106 . 9 1 1 A 13 13 ARG H H 10 8.949 8.836 0.113 1
1 107 . 9 1 1 A 13 13 ARG HA H 10 4.097 4.088 0.009 1
1 114 . 9 1 1 A 13 13 ARG C C 10 179.273 178.806 0.467 1
1 115 . 9 1 1 A 13 13 ARG CA C 10 58.924 59.228 -0.304 1
1 116 . 9 1 1 A 13 13 ARG CB C 10 30.138 30.198 -0.060 1
1 119 . 9 1 1 A 13 13 ARG N N 10 119.265 119.530 -0.265 1
1 120 . 9 1 1 A 14 14 ALA H H 11 7.451 8.119 -0.668 1
1 121 . 9 1 1 A 14 14 ALA HA H 11 4.685 4.187 0.498 1
1 125 . 9 1 1 A 14 14 ALA C C 11 179.564 180.531 -0.967 1
1 126 . 9 1 1 A 14 14 ALA CA C 11 53.705 55.084 -1.379 1
1 127 . 9 1 1 A 14 14 ALA CB C 11 18.325 18.489 -0.164 1
1 128 . 9 1 1 A 14 14 ALA N N 11 122.421 122.108 0.313 1
1 129 . 9 1 1 A 15 15 LEU H H 12 8.683 8.329 0.354 1
1 130 . 9 1 1 A 15 15 LEU HA H 12 3.877 3.998 -0.121 1
1 140 . 9 1 1 A 15 15 LEU C C 12 178.550 179.338 -0.788 1
1 141 . 9 1 1 A 15 15 LEU CA C 12 57.139 57.457 -0.318 1
1 142 . 9 1 1 A 15 15 LEU CB C 12 41.103 41.413 -0.310 1
1 146 . 9 1 1 A 15 15 LEU N N 12 120.118 120.037 0.081 1
1 147 . 9 1 1 A 16 16 LYS H H 13 7.345 8.276 -0.931 1
1 148 . 9 1 1 A 16 16 LYS HA H 13 3.995 3.928 0.067 1
1 157 . 9 1 1 A 16 16 LYS C C 13 179.678 179.829 -0.151 1
1 158 . 9 1 1 A 16 16 LYS CA C 13 59.700 60.485 -0.785 1
1 159 . 9 1 1 A 16 16 LYS CB C 13 32.388 32.090 0.298 1
1 163 . 9 1 1 A 16 16 LYS N N 13 117.725 118.435 -0.710 1
1 164 . 9 1 1 A 17 17 GLU H H 14 7.453 8.065 -0.612 1
1 165 . 9 1 1 A 17 17 GLU HA H 14 4.016 4.126 -0.110 1
1 170 . 9 1 1 A 17 17 GLU C C 14 179.589 179.042 0.547 1
1 171 . 9 1 1 A 17 17 GLU CA C 14 58.841 59.130 -0.289 1
1 172 . 9 1 1 A 17 17 GLU CB C 14 29.298 29.404 -0.106 1
1 174 . 9 1 1 A 17 17 GLU N N 14 118.019 119.635 -1.616 1
1 175 . 9 1 1 A 18 18 TRP H H 15 9.081 8.599 0.482 1
1 176 . 9 1 1 A 18 18 TRP HA H 15 4.174 4.231 -0.057 1
1 183 . 9 1 1 A 18 18 TRP C C 15 178.360 178.199 0.161 1
1 184 . 9 1 1 A 18 18 TRP CA C 15 59.938 61.008 -1.070 1
1 185 . 9 1 1 A 18 18 TRP CB C 15 30.241 29.681 0.560 1
1 186 . 9 1 1 A 18 18 TRP N N 15 122.628 121.997 0.631 1
1 188 . 9 1 1 A 19 19 ARG H H 16 8.197 8.472 -0.275 1
1 189 . 9 1 1 A 19 19 ARG HA H 16 3.863 4.188 -0.325 1
1 196 . 9 1 1 A 19 19 ARG C C 16 177.030 179.019 -1.989 1
1 197 . 9 1 1 A 19 19 ARG CA C 16 58.516 58.649 -0.133 1
1 198 . 9 1 1 A 19 19 ARG CB C 16 30.300 29.922 0.378 1
1 201 . 9 1 1 A 19 19 ARG N N 16 115.582 118.671 -3.089 1
1 202 . 9 1 1 A 20 20 LYS H H 17 7.308 7.746 -0.438 1
1 203 . 9 1 1 A 20 20 LYS HA H 17 4.238 4.144 0.094 1
1 212 . 9 1 1 A 20 20 LYS C C 17 177.043 177.349 -0.306 1
1 213 . 9 1 1 A 20 20 LYS CA C 17 56.270 59.085 -2.815 1
1 214 . 9 1 1 A 20 20 LYS CB C 17 32.300 32.335 -0.035 1
1 218 . 9 1 1 A 20 20 LYS N N 17 116.689 119.636 -2.947 1
1 219 . 9 1 1 A 21 21 LEU H H 18 6.998 7.726 -0.728 1
1 220 . 9 1 1 A 21 21 LEU HA H 18 4.026 4.137 -0.111 1
1 230 . 9 1 1 A 21 21 LEU C C 18 177.676 177.471 0.205 1
1 231 . 9 1 1 A 21 21 LEU CA C 18 54.567 55.334 -0.767 1
1 232 . 9 1 1 A 21 21 LEU CB C 18 43.357 41.928 1.429 1
1 236 . 9 1 1 A 21 21 LEU N N 18 118.778 120.866 -2.088 1
1 237 . 9 1 1 A 22 22 GLY H H 19 8.370 8.360 0.010 1
1 238 . 9 1 1 A 22 22 GLY HA2 H 19 4.064 3.956 0.108 1
1 239 . 9 1 1 A 22 22 GLY HA3 H 19 3.845 3.971 -0.126 1
1 240 . 9 1 1 A 22 22 GLY C C 19 174.813 175.284 -0.471 1
1 241 . 9 1 1 A 22 22 GLY CA C 19 45.045 44.989 0.056 1
1 242 . 9 1 1 A 22 22 GLY N N 19 107.490 109.443 -1.953 1
1 243 . 9 1 1 A 23 23 SER H H 20 8.675 8.718 -0.043 1
1 244 . 9 1 1 A 23 23 SER HA H 20 4.288 3.973 0.315 1
1 247 . 9 1 1 A 23 23 SER CA C 20 58.981 61.508 -2.527 1
1 248 . 9 1 1 A 23 23 SER CB C 20 63.045 63.136 -0.091 1
1 249 . 9 1 1 A 23 23 SER N N 20 117.877 117.449 0.428 1
1 250 . 9 1 1 A 24 24 THR H H 21 8.216 8.002 0.214 1
1 251 . 9 1 1 A 24 24 THR HA H 21 3.983 3.956 0.027 1
1 256 . 9 1 1 A 24 24 THR C C 21 176.510 176.468 0.042 1
1 257 . 9 1 1 A 24 24 THR CA C 21 65.858 66.800 -0.942 1
1 258 . 9 1 1 A 24 24 THR CB C 21 67.941 68.242 -0.301 1
1 260 . 9 1 1 A 24 24 THR N N 21 115.680 116.982 -1.302 1
1 261 . 9 1 1 A 25 25 VAL H H 22 7.143 7.385 -0.242 1
1 262 . 9 1 1 A 25 25 VAL HA H 22 3.545 3.352 0.193 1
1 270 . 9 1 1 A 25 25 VAL C C 22 177.613 177.647 -0.034 1
1 271 . 9 1 1 A 25 25 VAL CA C 22 65.577 66.540 -0.963 1
1 272 . 9 1 1 A 25 25 VAL CB C 22 31.544 31.221 0.323 1
1 275 . 9 1 1 A 25 25 VAL N N 22 122.443 121.706 0.737 1
1 276 . 9 1 1 A 26 26 ARG H H 23 7.840 7.962 -0.122 1
1 277 . 9 1 1 A 26 26 ARG HA H 23 3.156 3.530 -0.374 1
1 284 . 9 1 1 A 26 26 ARG C C 23 177.790 178.134 -0.344 1
1 285 . 9 1 1 A 26 26 ARG CA C 23 59.951 58.329 1.622 1
1 286 . 9 1 1 A 26 26 ARG CB C 23 29.590 28.808 0.782 1
1 289 . 9 1 1 A 26 26 ARG N N 23 119.146 119.751 -0.605 1
1 290 . 9 1 1 A 27 27 GLU H H 24 8.159 8.664 -0.505 1
1 291 . 9 1 1 A 27 27 GLU HA H 24 3.970 4.064 -0.094 1
1 296 . 9 1 1 A 27 27 GLU C C 24 179.577 179.417 0.160 1
1 297 . 9 1 1 A 27 27 GLU CA C 24 59.400 59.065 0.335 1
1 298 . 9 1 1 A 27 27 GLU CB C 24 29.013 29.276 -0.263 1
1 300 . 9 1 1 A 27 27 GLU N N 24 116.672 118.478 -1.806 1
1 301 . 9 1 1 A 28 28 GLN H H 25 7.693 7.542 0.151 1
1 302 . 9 1 1 A 28 28 GLN HA H 25 4.094 4.031 0.063 1
1 309 . 9 1 1 A 28 28 GLN C C 25 179.919 179.437 0.482 1
1 310 . 9 1 1 A 28 28 GLN CA C 25 59.108 58.789 0.319 1
1 311 . 9 1 1 A 28 28 GLN CB C 25 29.575 28.309 1.266 1
1 313 . 9 1 1 A 28 28 GLN N N 25 118.482 118.864 -0.382 1
1 315 . 9 1 1 A 29 29 LEU H H 26 8.441 7.974 0.467 1
1 316 . 9 1 1 A 29 29 LEU HA H 26 4.096 4.131 -0.035 1
1 326 . 9 1 1 A 29 29 LEU C C 26 178.804 179.395 -0.591 1
1 327 . 9 1 1 A 29 29 LEU CA C 26 57.983 58.030 -0.047 1
1 328 . 9 1 1 A 29 29 LEU CB C 26 42.513 41.288 1.225 1
1 332 . 9 1 1 A 29 29 LEU N N 26 119.907 120.547 -0.640 1
1 333 . 9 1 1 A 30 30 LYS H H 27 9.233 8.755 0.478 1
1 334 . 9 1 1 A 30 30 LYS HA H 27 4.076 4.252 -0.176 1
1 343 . 9 1 1 A 30 30 LYS C C 27 178.056 178.714 -0.658 1
1 344 . 9 1 1 A 30 30 LYS CA C 27 60.233 59.786 0.447 1
1 345 . 9 1 1 A 30 30 LYS CB C 27 32.103 32.699 -0.596 1
1 349 . 9 1 1 A 30 30 LYS N N 27 120.508 120.421 0.087 1
1 350 . 9 1 1 A 31 31 LYS H H 28 7.698 7.759 -0.061 1
1 351 . 9 1 1 A 31 31 LYS HA H 28 4.056 4.091 -0.035 1
1 360 . 9 1 1 A 31 31 LYS C C 28 179.539 179.294 0.245 1
1 361 . 9 1 1 A 31 31 LYS CA C 28 59.596 59.865 -0.269 1
1 362 . 9 1 1 A 31 31 LYS CB C 28 32.400 32.272 0.128 1
1 366 . 9 1 1 A 31 31 LYS N N 28 117.412 118.115 -0.703 1
1 367 . 9 1 1 A 32 32 LYS H H 29 7.347 7.624 -0.277 1
1 368 . 9 1 1 A 32 32 LYS HA H 29 4.230 4.039 0.191 1
1 377 . 9 1 1 A 32 32 LYS C C 29 179.057 179.284 -0.227 1
1 378 . 9 1 1 A 32 32 LYS CA C 29 57.553 59.387 -1.834 1
1 379 . 9 1 1 A 32 32 LYS CB C 29 32.103 32.347 -0.244 1
1 383 . 9 1 1 A 32 32 LYS N N 29 116.983 120.285 -3.302 1
1 384 . 9 1 1 A 33 33 LEU H H 30 8.663 8.167 0.496 1
1 385 . 9 1 1 A 33 33 LEU HA H 30 3.844 3.944 -0.100 1
1 395 . 9 1 1 A 33 33 LEU C C 30 177.765 178.694 -0.929 1
1 396 . 9 1 1 A 33 33 LEU CA C 30 57.420 58.131 -0.711 1
1 397 . 9 1 1 A 33 33 LEU CB C 30 42.513 41.839 0.674 1
1 401 . 9 1 1 A 33 33 LEU N N 30 121.134 120.727 0.407 1
1 402 . 9 1 1 A 34 34 VAL H H 31 8.185 8.205 -0.020 1
1 403 . 9 1 1 A 34 34 VAL HA H 31 3.548 3.490 0.058 1
1 411 . 9 1 1 A 34 34 VAL C C 31 178.639 177.891 0.748 1
1 412 . 9 1 1 A 34 34 VAL CA C 31 66.702 66.977 -0.275 1
1 413 . 9 1 1 A 34 34 VAL CB C 31 31.544 30.957 0.587 1
1 416 . 9 1 1 A 34 34 VAL N N 31 117.076 118.254 -1.178 1
1 417 . 9 1 1 A 35 35 GLU H H 32 7.143 8.273 -1.130 1
1 418 . 9 1 1 A 35 35 GLU HA H 32 4.093 4.063 0.030 1
1 423 . 9 1 1 A 35 35 GLU C C 32 179.450 178.775 0.675 1
1 424 . 9 1 1 A 35 35 GLU CA C 32 58.264 59.119 -0.855 1
1 425 . 9 1 1 A 35 35 GLU CB C 32 29.575 29.197 0.378 1
1 427 . 9 1 1 A 35 35 GLU N N 32 117.290 119.446 -2.156 1
1 428 . 9 1 1 A 36 36 VAL H H 33 7.659 8.375 -0.716 1
1 429 . 9 1 1 A 36 36 VAL HA H 33 3.774 3.836 -0.062 1
1 437 . 9 1 1 A 36 36 VAL C C 33 176.929 177.703 -0.774 1
1 438 . 9 1 1 A 36 36 VAL CA C 33 63.889 65.021 -1.132 1
1 439 . 9 1 1 A 36 36 VAL CB C 33 31.825 31.214 0.611 1
1 442 . 9 1 1 A 36 36 VAL N N 33 118.056 119.790 -1.734 1
1 443 . 9 1 1 A 37 37 LEU H H 34 7.679 7.848 -0.169 1
1 444 . 9 1 1 A 37 37 LEU HA H 34 3.619 3.909 -0.290 1
1 454 . 9 1 1 A 37 37 LEU C C 34 177.968 179.629 -1.661 1
1 455 . 9 1 1 A 37 37 LEU CA C 34 57.420 57.253 0.167 1
1 456 . 9 1 1 A 37 37 LEU CB C 34 40.263 41.335 -1.072 1
1 460 . 9 1 1 A 37 37 LEU N N 34 116.847 121.487 -4.640 1
1 461 . 9 1 1 A 38 38 GLU H H 35 7.238 8.728 -1.490 1
1 462 . 9 1 1 A 38 38 GLU HA H 35 4.295 4.501 -0.206 1
1 467 . 9 1 1 A 38 38 GLU C C 35 177.853 176.797 1.056 1
1 468 . 9 1 1 A 38 38 GLU CA C 35 57.900 58.373 -0.473 1
1 469 . 9 1 1 A 38 38 GLU CB C 35 30.138 28.714 1.424 1
1 471 . 9 1 1 A 38 38 GLU N N 35 113.881 117.316 -3.435 1
1 472 . 9 1 1 A 39 39 SER H H 36 7.101 7.991 -0.890 1
1 473 . 9 1 1 A 39 39 SER HA H 36 4.518 4.976 -0.458 1
1 476 . 9 1 1 A 39 39 SER CA C 36 55.553 55.620 -0.067 1
1 477 . 9 1 1 A 39 39 SER CB C 36 61.920 63.224 -1.304 1
1 478 . 9 1 1 A 39 39 SER N N 36 109.128 115.521 -6.393 1
1 479 . 9 1 1 A 40 40 PRO HA H 37 4.363 4.351 0.012 1
1 486 . 9 1 1 A 40 40 PRO C C 37 177.879 177.108 0.771 1
1 487 . 9 1 1 A 40 40 PRO CA C 37 64.705 64.082 0.623 1
1 488 . 9 1 1 A 40 40 PRO CB C 37 32.669 31.664 1.005 1
1 491 . 9 1 1 A 41 41 ARG H H 38 8.299 8.379 -0.080 1
1 492 . 9 1 1 A 41 41 ARG HA H 38 3.183 3.977 -0.794 1
1 499 . 9 1 1 A 41 41 ARG C C 38 174.217 175.400 -1.183 1
1 500 . 9 1 1 A 41 41 ARG CA C 38 56.014 55.934 0.080 1
1 501 . 9 1 1 A 41 41 ARG CB C 38 29.571 29.491 0.080 1
1 504 . 9 1 1 A 41 41 ARG N N 38 121.121 115.093 6.028 1
1 505 . 9 1 1 A 42 42 ILE H H 39 5.995 7.647 -1.652 1
1 506 . 9 1 1 A 42 42 ILE HA H 39 4.177 4.398 -0.221 1
1 516 . 9 1 1 A 42 42 ILE C C 39 176.295 177.112 -0.817 1
1 517 . 9 1 1 A 42 42 ILE CA C 39 59.389 60.628 -1.239 1
1 518 . 9 1 1 A 42 42 ILE CB C 39 39.138 38.986 0.152 1
1 522 . 9 1 1 A 42 42 ILE N N 39 128.247 122.229 6.018 1
1 523 . 9 1 1 A 43 43 GLU H H 40 8.893 8.873 0.020 1
1 524 . 9 1 1 A 43 43 GLU HA H 40 4.174 4.141 0.033 1
1 529 . 9 1 1 A 43 43 GLU C C 40 178.918 178.401 0.517 1
1 530 . 9 1 1 A 43 43 GLU CA C 40 60.336 59.140 1.196 1
1 531 . 9 1 1 A 43 43 GLU CB C 40 29.100 29.100 0.000 1
1 533 . 9 1 1 A 43 43 GLU N N 40 130.055 126.934 3.121 1
1 534 . 9 1 1 A 44 44 ALA H H 41 8.851 7.782 1.069 1
1 535 . 9 1 1 A 44 44 ALA HA H 41 4.222 4.176 0.046 1
1 539 . 9 1 1 A 44 44 ALA C C 41 178.069 178.006 0.063 1
1 540 . 9 1 1 A 44 44 ALA CA C 41 54.148 53.837 0.311 1
1 541 . 9 1 1 A 44 44 ALA CB C 41 18.606 18.352 0.254 1
1 542 . 9 1 1 A 44 44 ALA N N 41 119.773 121.952 -2.179 1
1 543 . 9 1 1 A 45 45 ASN H H 42 8.176 8.038 0.138 1
1 544 . 9 1 1 A 45 45 ASN HA H 42 5.046 4.817 0.229 1
1 549 . 9 1 1 A 45 45 ASN C C 42 174.521 175.144 -0.623 1
1 550 . 9 1 1 A 45 45 ASN CA C 42 51.495 53.244 -1.749 1
1 551 . 9 1 1 A 45 45 ASN CB C 42 38.853 39.500 -0.647 1
1 552 . 9 1 1 A 45 45 ASN N N 42 114.425 115.003 -0.578 1
1 554 . 9 1 1 A 46 46 LYS H H 43 7.524 7.455 0.069 1
1 555 . 9 1 1 A 46 46 LYS HA H 43 3.769 4.298 -0.529 1
1 564 . 9 1 1 A 46 46 LYS C C 43 176.143 175.918 0.225 1
1 565 . 9 1 1 A 46 46 LYS CA C 43 56.858 55.605 1.253 1
1 566 . 9 1 1 A 46 46 LYS CB C 43 33.232 33.472 -0.240 1
1 570 . 9 1 1 A 46 46 LYS N N 43 122.393 121.937 0.456 1
1 571 . 9 1 1 A 47 47 LEU H H 44 7.982 8.581 -0.599 1
1 572 . 9 1 1 A 47 47 LEU HA H 44 4.374 4.621 -0.247 1
1 582 . 9 1 1 A 47 47 LEU C C 44 176.143 175.960 0.183 1
1 583 . 9 1 1 A 47 47 LEU CA C 44 53.746 53.681 0.065 1
1 584 . 9 1 1 A 47 47 LEU CB C 44 41.951 42.607 -0.656 1
1 588 . 9 1 1 A 47 47 LEU N N 44 127.624 125.989 1.635 1
1 589 . 9 1 1 A 48 48 ARG H H 45 8.549 8.717 -0.168 1
1 590 . 9 1 1 A 48 48 ARG HA H 45 4.346 4.019 0.327 1
1 597 . 9 1 1 A 48 48 ARG CA C 45 55.800 57.850 -2.050 1
1 598 . 9 1 1 A 48 48 ARG CB C 45 31.263 29.993 1.270 1
1 601 . 9 1 1 A 48 48 ARG N N 45 125.873 124.607 1.266 1
1 602 . 9 1 1 A 49 49 GLY H H 46 8.800 8.876 -0.076 1
1 603 . 9 1 1 A 49 49 GLY HA2 H 46 3.760 3.987 -0.227 1
1 604 . 9 1 1 A 49 49 GLY HA3 H 46 4.070 3.989 0.081 1
1 605 . 9 1 1 A 49 49 GLY C C 46 173.482 173.901 -0.419 1
1 606 . 9 1 1 A 49 49 GLY CA C 46 45.326 44.953 0.373 1
1 607 . 9 1 1 A 49 49 GLY N N 46 111.980 114.457 -2.477 1
1 608 . 9 1 1 A 50 50 MET H H 47 7.272 7.547 -0.275 1
1 609 . 9 1 1 A 50 50 MET HA H 47 4.921 4.788 0.133 1
1 617 . 9 1 1 A 50 50 MET CA C 47 52.049 52.634 -0.585 1
1 618 . 9 1 1 A 50 50 MET CB C 47 33.794 33.428 0.366 1
1 621 . 9 1 1 A 50 50 MET N N 47 119.077 120.413 -1.336 1
1 622 . 9 1 1 A 51 51 PRO HA H 48 4.294 4.365 -0.071 1
1 629 . 9 1 1 A 51 51 PRO C C 48 176.460 176.742 -0.282 1
1 630 . 9 1 1 A 51 51 PRO CA C 48 63.879 63.086 0.793 1
1 631 . 9 1 1 A 51 51 PRO CB C 48 31.825 31.060 0.765 1
1 634 . 9 1 1 A 52 52 ASP H H 49 8.661 8.350 0.311 1
1 635 . 9 1 1 A 52 52 ASP HA H 49 4.487 3.902 0.585 1
1 638 . 9 1 1 A 52 52 ASP C C 49 174.065 174.896 -0.831 1
1 639 . 9 1 1 A 52 52 ASP CA C 49 56.042 54.818 1.224 1
1 640 . 9 1 1 A 52 52 ASP CB C 49 41.107 39.748 1.359 1
1 641 . 9 1 1 A 52 52 ASP N N 49 116.477 116.960 -0.483 1
1 642 . 9 1 1 A 53 53 CYS H H 50 7.575 7.710 -0.135 1
1 643 . 9 1 1 A 53 53 CYS HA H 50 5.835 5.156 0.679 1
1 646 . 9 1 1 A 53 53 CYS C C 50 173.444 173.021 0.423 1
1 647 . 9 1 1 A 53 53 CYS CA C 50 58.110 57.756 0.354 1
1 648 . 9 1 1 A 53 53 CYS CB C 50 30.700 29.751 0.949 1
1 649 . 9 1 1 A 53 53 CYS N N 50 114.414 117.369 -2.955 1
1 650 . 9 1 1 A 54 54 TYR H H 51 8.806 9.089 -0.283 1
1 651 . 9 1 1 A 54 54 TYR HA H 51 4.737 5.310 -0.573 1
1 658 . 9 1 1 A 54 54 TYR C C 51 172.950 174.235 -1.285 1
1 659 . 9 1 1 A 54 54 TYR CA C 51 56.066 55.845 0.221 1
1 660 . 9 1 1 A 54 54 TYR CB C 51 42.794 42.712 0.082 1
1 661 . 9 1 1 A 54 54 TYR N N 51 120.858 120.437 0.421 1
1 662 . 9 1 1 A 55 55 LYS H H 52 8.425 9.220 -0.795 1
1 663 . 9 1 1 A 55 55 LYS HA H 52 5.687 5.494 0.193 1
1 672 . 9 1 1 A 55 55 LYS C C 52 176.498 175.052 1.446 1
1 673 . 9 1 1 A 55 55 LYS CA C 52 53.291 54.386 -1.095 1
1 674 . 9 1 1 A 55 55 LYS CB C 52 36.325 35.754 0.571 1
1 678 . 9 1 1 A 55 55 LYS N N 52 115.794 119.026 -3.232 1
1 679 . 9 1 1 A 56 56 ILE H H 53 9.187 9.205 -0.018 1
1 680 . 9 1 1 A 56 56 ILE HA H 53 4.416 5.024 -0.608 1
1 690 . 9 1 1 A 56 56 ILE C C 53 174.572 175.409 -0.837 1
1 691 . 9 1 1 A 56 56 ILE CA C 53 60.971 59.643 1.328 1
1 692 . 9 1 1 A 56 56 ILE CB C 53 41.388 40.764 0.624 1
1 696 . 9 1 1 A 56 56 ILE N N 53 120.315 123.572 -3.257 1
1 697 . 9 1 1 A 57 57 LYS H H 54 8.755 9.124 -0.369 1
1 698 . 9 1 1 A 57 57 LYS HA H 54 5.043 5.393 -0.350 1
1 707 . 9 1 1 A 57 57 LYS C C 54 175.193 175.195 -0.002 1
1 708 . 9 1 1 A 57 57 LYS CA C 54 54.359 54.619 -0.260 1
1 709 . 9 1 1 A 57 57 LYS CB C 54 35.482 35.586 -0.104 1
1 713 . 9 1 1 A 57 57 LYS N N 54 125.616 124.952 0.664 1
1 714 . 9 1 1 A 58 58 LEU H H 55 8.449 9.040 -0.591 1
1 715 . 9 1 1 A 58 58 LEU HA H 55 4.796 4.596 0.200 1
1 725 . 9 1 1 A 58 58 LEU CA C 55 53.201 54.878 -1.677 1
1 726 . 9 1 1 A 58 58 LEU CB C 55 41.669 42.287 -0.618 1
1 730 . 9 1 1 A 58 58 LEU N N 55 124.214 125.599 -1.385 1
1 731 . 9 1 1 A 59 59 ARG HA H 56 4.008 3.930 0.078 1
1 738 . 9 1 1 A 59 59 ARG CA C 56 57.420 59.953 -2.533 1
1 739 . 9 1 1 A 59 59 ARG CB C 56 29.575 30.509 -0.934 1
1 742 . 9 1 1 A 60 60 SER HA H 57 4.246 4.248 -0.002 1
1 745 . 9 1 1 A 60 60 SER CA C 57 59.798 61.285 -1.487 1
1 746 . 9 1 1 A 60 60 SER CB C 57 63.045 62.773 0.272 1
1 747 . 9 1 1 A 61 61 SER HA H 58 4.616 4.489 0.127 1
1 750 . 9 1 1 A 61 61 SER C C 58 175.155 175.066 0.089 1
1 751 . 9 1 1 A 61 61 SER CA C 58 58.010 59.792 -1.782 1
1 752 . 9 1 1 A 61 61 SER CB C 58 64.452 63.579 0.873 1
1 753 . 9 1 1 A 62 62 GLY H H 59 8.217 8.561 -0.344 1
1 754 . 9 1 1 A 62 62 GLY HA2 H 59 3.926 3.893 0.033 1
1 755 . 9 1 1 A 62 62 GLY HA3 H 59 4.010 3.920 0.090 1
1 756 . 9 1 1 A 62 62 GLY C C 59 174.407 174.453 -0.046 1
1 757 . 9 1 1 A 62 62 GLY CA C 59 45.888 46.071 -0.183 1
1 758 . 9 1 1 A 62 62 GLY N N 59 109.272 109.513 -0.241 1
1 759 . 9 1 1 A 63 63 TYR H H 60 7.463 7.877 -0.414 1
1 760 . 9 1 1 A 63 63 TYR HA H 60 4.629 4.554 0.075 1
1 767 . 9 1 1 A 63 63 TYR C C 60 175.117 175.041 0.076 1
1 768 . 9 1 1 A 63 63 TYR CA C 60 59.857 57.921 1.936 1
1 769 . 9 1 1 A 63 63 TYR CB C 60 41.388 40.117 1.271 1
1 770 . 9 1 1 A 63 63 TYR N N 60 117.638 118.766 -1.128 1
1 771 . 9 1 1 A 64 64 ARG H H 61 9.261 9.180 0.081 1
1 772 . 9 1 1 A 64 64 ARG HA H 61 5.458 5.548 -0.090 1
1 779 . 9 1 1 A 64 64 ARG C C 61 173.596 174.635 -1.039 1
1 780 . 9 1 1 A 64 64 ARG CA C 61 53.880 54.637 -0.757 1
1 781 . 9 1 1 A 64 64 ARG CB C 61 34.357 33.855 0.502 1
1 784 . 9 1 1 A 64 64 ARG N N 61 119.605 121.050 -1.445 1
1 785 . 9 1 1 A 65 65 LEU H H 62 9.085 9.233 -0.148 1
1 786 . 9 1 1 A 65 65 LEU HA H 62 5.432 5.423 0.009 1
1 796 . 9 1 1 A 65 65 LEU C C 62 174.534 174.516 0.018 1
1 797 . 9 1 1 A 65 65 LEU CA C 62 53.795 53.560 0.235 1
1 798 . 9 1 1 A 65 65 LEU CB C 62 46.732 46.102 0.630 1
1 802 . 9 1 1 A 65 65 LEU N N 62 125.189 125.030 0.159 1
1 803 . 9 1 1 A 66 66 VAL H H 63 9.058 9.036 0.022 1
1 804 . 9 1 1 A 66 66 VAL HA H 63 4.991 5.300 -0.309 1
1 812 . 9 1 1 A 66 66 VAL C C 63 174.699 174.920 -0.221 1
1 813 . 9 1 1 A 66 66 VAL CA C 63 60.795 60.830 -0.035 1
1 814 . 9 1 1 A 66 66 VAL CB C 63 34.075 33.853 0.222 1
1 817 . 9 1 1 A 66 66 VAL N N 63 125.140 126.006 -0.866 1
1 818 . 9 1 1 A 67 67 TYR H H 64 9.091 8.703 0.388 1
1 819 . 9 1 1 A 67 67 TYR HA H 64 5.659 5.738 -0.079 1
1 826 . 9 1 1 A 67 67 TYR C C 64 170.910 173.014 -2.104 1
1 827 . 9 1 1 A 67 67 TYR CA C 64 54.286 55.019 -0.733 1
1 828 . 9 1 1 A 67 67 TYR CB C 64 41.951 41.859 0.092 1
1 829 . 9 1 1 A 67 67 TYR N N 64 124.150 124.256 -0.106 1
1 830 . 9 1 1 A 68 68 GLN H H 65 9.814 9.412 0.402 1
1 831 . 9 1 1 A 68 68 GLN HA H 65 5.510 5.519 -0.009 1
1 838 . 9 1 1 A 68 68 GLN C C 65 175.725 174.739 0.986 1
1 839 . 9 1 1 A 68 68 GLN CA C 65 53.092 54.463 -1.371 1
1 840 . 9 1 1 A 68 68 GLN CB C 65 32.600 31.766 0.834 1
1 842 . 9 1 1 A 68 68 GLN N N 65 123.050 119.095 3.955 1
1 844 . 9 1 1 A 69 69 VAL H H 66 9.198 9.210 -0.012 1
1 845 . 9 1 1 A 69 69 VAL HA H 66 4.369 4.455 -0.086 1
1 853 . 9 1 1 A 69 69 VAL C C 66 175.357 175.409 -0.052 1
1 854 . 9 1 1 A 69 69 VAL CA C 66 63.045 62.667 0.378 1
1 855 . 9 1 1 A 69 69 VAL CB C 66 32.669 31.868 0.801 1
1 858 . 9 1 1 A 69 69 VAL N N 66 127.343 123.876 3.467 1
1 859 . 9 1 1 A 70 70 ILE H H 67 9.241 9.164 0.077 1
1 860 . 9 1 1 A 70 70 ILE HA H 67 4.471 4.443 0.028 1
1 870 . 9 1 1 A 70 70 ILE C C 67 177.081 176.169 0.912 1
1 871 . 9 1 1 A 70 70 ILE CA C 67 59.716 60.882 -1.166 1
1 872 . 9 1 1 A 70 70 ILE CB C 67 37.169 37.008 0.161 1
1 876 . 9 1 1 A 70 70 ILE N N 67 129.254 127.729 1.525 1
1 877 . 9 1 1 A 71 71 ASP H H 68 9.374 8.855 0.519 1
1 878 . 9 1 1 A 71 71 ASP HA H 68 4.574 4.561 0.013 1
1 881 . 9 1 1 A 71 71 ASP C C 68 179.868 178.061 1.807 1
1 882 . 9 1 1 A 71 71 ASP CA C 68 58.797 57.706 1.091 1
1 883 . 9 1 1 A 71 71 ASP CB C 68 40.544 40.755 -0.211 1
1 884 . 9 1 1 A 71 71 ASP N N 68 129.133 128.992 0.141 1
1 885 . 9 1 1 A 72 72 GLU H H 69 9.631 8.301 1.330 1
1 886 . 9 1 1 A 72 72 GLU HA H 69 4.088 4.120 -0.032 1
1 891 . 9 1 1 A 72 72 GLU C C 69 176.865 177.842 -0.977 1
1 892 . 9 1 1 A 72 72 GLU CA C 69 59.670 59.306 0.364 1
1 893 . 9 1 1 A 72 72 GLU CB C 69 29.100 29.662 -0.562 1
1 895 . 9 1 1 A 72 72 GLU N N 69 118.880 118.753 0.127 1
1 896 . 9 1 1 A 73 73 LYS H H 70 6.582 7.751 -1.169 1
1 897 . 9 1 1 A 73 73 LYS HA H 70 4.474 4.413 0.061 1
1 906 . 9 1 1 A 73 73 LYS C C 70 173.964 175.533 -1.569 1
1 907 . 9 1 1 A 73 73 LYS CA C 70 54.604 55.903 -1.299 1
1 908 . 9 1 1 A 73 73 LYS CB C 70 34.075 32.835 1.240 1
1 912 . 9 1 1 A 73 73 LYS N N 70 114.014 117.171 -3.157 1
1 913 . 9 1 1 A 74 74 VAL H H 71 7.791 7.694 0.097 1
1 914 . 9 1 1 A 74 74 VAL HA H 71 2.948 3.683 -0.735 1
1 922 . 9 1 1 A 74 74 VAL C C 71 173.381 174.377 -0.996 1
1 923 . 9 1 1 A 74 74 VAL CA C 71 63.045 63.787 -0.742 1
1 924 . 9 1 1 A 74 74 VAL CB C 71 29.013 29.647 -0.634 1
1 927 . 9 1 1 A 74 74 VAL N N 71 119.301 115.987 3.314 1
1 928 . 9 1 1 A 75 75 VAL H H 72 7.736 7.873 -0.137 1
1 929 . 9 1 1 A 75 75 VAL HA H 72 5.159 4.929 0.230 1
1 937 . 9 1 1 A 75 75 VAL C C 72 175.028 174.060 0.968 1
1 938 . 9 1 1 A 75 75 VAL CA C 72 59.839 60.384 -0.545 1
1 939 . 9 1 1 A 75 75 VAL CB C 72 37.732 35.745 1.987 1
1 942 . 9 1 1 A 75 75 VAL N N 72 116.865 120.225 -3.360 1
1 943 . 9 1 1 A 76 76 VAL H H 73 9.006 9.113 -0.107 1
1 944 . 9 1 1 A 76 76 VAL HA H 73 4.190 5.083 -0.893 1
1 952 . 9 1 1 A 76 76 VAL C C 73 172.177 174.220 -2.043 1
1 953 . 9 1 1 A 76 76 VAL CA C 73 62.473 60.953 1.520 1
1 954 . 9 1 1 A 76 76 VAL CB C 73 32.388 33.286 -0.898 1
1 957 . 9 1 1 A 76 76 VAL N N 73 128.675 124.124 4.551 1
1 958 . 9 1 1 A 77 77 PHE H H 74 9.468 9.454 0.014 1
1 959 . 9 1 1 A 77 77 PHE HA H 74 5.019 5.065 -0.046 1
1 966 . 9 1 1 A 77 77 PHE C C 74 174.420 174.046 0.374 1
1 967 . 9 1 1 A 77 77 PHE CA C 74 54.378 55.943 -1.565 1
1 968 . 9 1 1 A 77 77 PHE CB C 74 42.230 40.670 1.560 1
1 969 . 9 1 1 A 77 77 PHE N N 74 130.014 127.382 2.632 1
1 970 . 9 1 1 A 78 78 VAL H H 75 8.990 8.929 0.061 1
1 971 . 9 1 1 A 78 78 VAL HA H 75 3.645 3.947 -0.302 1
1 979 . 9 1 1 A 78 78 VAL C C 75 174.813 175.254 -0.441 1
1 980 . 9 1 1 A 78 78 VAL CA C 75 64.452 63.255 1.197 1
1 981 . 9 1 1 A 78 78 VAL CB C 75 31.009 31.032 -0.023 1
1 984 . 9 1 1 A 78 78 VAL N N 75 128.474 127.315 1.159 1
1 985 . 9 1 1 A 79 79 ILE H H 76 8.679 8.987 -0.308 1
1 986 . 9 1 1 A 79 79 ILE HA H 76 4.171 3.873 0.298 1
1 996 . 9 1 1 A 79 79 ILE C C 76 176.092 175.801 0.291 1
1 997 . 9 1 1 A 79 79 ILE CA C 76 61.635 62.290 -0.655 1
1 998 . 9 1 1 A 79 79 ILE CB C 76 39.982 38.379 1.603 1
1 1002 . 9 1 1 A 79 79 ILE N N 76 122.334 128.709 -6.375 1
1 1003 . 9 1 1 A 80 80 SER H H 77 7.614 7.549 0.065 1
1 1004 . 9 1 1 A 80 80 SER HA H 77 4.724 4.944 -0.220 1
1 1007 . 9 1 1 A 80 80 SER C C 77 172.545 172.216 0.329 1
1 1008 . 9 1 1 A 80 80 SER CA C 77 57.849 57.686 0.163 1
1 1009 . 9 1 1 A 80 80 SER CB C 77 64.733 67.027 -2.294 1
1 1010 . 9 1 1 A 80 80 SER N N 77 113.369 114.075 -0.706 1
1 1011 . 9 1 1 A 81 81 VAL H H 78 8.814 8.248 0.566 1
1 1012 . 9 1 1 A 81 81 VAL HA H 78 5.102 5.102 0.000 1
1 1020 . 9 1 1 A 81 81 VAL C C 78 173.761 174.636 -0.875 1
1 1021 . 9 1 1 A 81 81 VAL CA C 78 61.004 59.769 1.235 1
1 1022 . 9 1 1 A 81 81 VAL CB C 78 34.638 36.053 -1.415 1
1 1025 . 9 1 1 A 81 81 VAL N N 78 123.792 121.388 2.404 1
1 1026 . 9 1 1 A 82 82 GLY H H 79 8.628 8.680 -0.052 1
1 1027 . 9 1 1 A 82 82 GLY HA2 H 79 4.365 4.317 0.048 1
1 1028 . 9 1 1 A 82 82 GLY HA3 H 79 4.214 4.467 -0.253 1
1 1029 . 9 1 1 A 82 82 GLY C C 79 171.201 172.369 -1.168 1
1 1030 . 9 1 1 A 82 82 GLY CA C 79 45.606 45.457 0.149 1
1 1031 . 9 1 1 A 82 82 GLY N N 79 111.112 113.421 -2.309 1
1 1032 . 9 1 1 A 83 83 LYS H H 80 8.670 8.302 0.368 1
1 1033 . 9 1 1 A 83 83 LYS HA H 80 4.205 5.034 -0.829 1
1 1042 . 9 1 1 A 83 83 LYS C C 80 176.080 175.216 0.864 1
1 1043 . 9 1 1 A 83 83 LYS CA C 80 55.451 54.241 1.210 1
1 1044 . 9 1 1 A 83 83 LYS CB C 80 32.665 36.078 -3.413 1
1 1048 . 9 1 1 A 83 83 LYS N N 80 120.943 123.345 -2.402 1
1 1049 . 9 1 1 A 84 84 ALA H H 81 8.049 8.756 -0.707 1
1 1050 . 9 1 1 A 84 84 ALA HA H 81 4.182 4.936 -0.754 1
1 1054 . 9 1 1 A 84 84 ALA C C 81 176.941 176.570 0.371 1
1 1055 . 9 1 1 A 84 84 ALA CA C 81 52.248 50.885 1.363 1
1 1056 . 9 1 1 A 84 84 ALA CB C 81 19.450 21.108 -1.658 1
1 1057 . 9 1 1 A 84 84 ALA N N 81 125.262 124.165 1.097 1
1 1058 . 9 1 1 A 85 85 GLU H H 82 8.460 9.787 -1.327 1
1 1059 . 9 1 1 A 85 85 GLU HA H 82 4.230 4.599 -0.369 1
1 1064 . 9 1 1 A 85 85 GLU C C 82 176.599 177.497 -0.898 1
1 1065 . 9 1 1 A 85 85 GLU CA C 82 56.446 57.662 -1.216 1
1 1066 . 9 1 1 A 85 85 GLU CB C 82 29.853 32.855 -3.002 1
1 1068 . 9 1 1 A 85 85 GLU N N 82 119.296 124.886 -5.590 1
1 1069 . 9 1 1 A 86 86 ALA H H 83 8.403 8.801 -0.398 1
1 1070 . 9 1 1 A 86 86 ALA HA H 83 4.149 4.598 -0.449 1
1 1074 . 9 1 1 A 86 86 ALA C C 83 177.777 177.382 0.395 1
1 1075 . 9 1 1 A 86 86 ALA CA C 83 53.448 53.387 0.061 1
1 1076 . 9 1 1 A 86 86 ALA CB C 83 18.887 20.981 -2.094 1
1 1077 . 9 1 1 A 86 86 ALA N N 83 124.833 120.889 3.944 1
1 1078 . 9 1 1 A 87 87 SER H H 84 8.301 8.040 0.261 1
1 1079 . 9 1 1 A 87 87 SER HA H 84 4.297 5.031 -0.734 1
1 1082 . 9 1 1 A 87 87 SER C C 84 175.370 174.899 0.471 1
1 1083 . 9 1 1 A 87 87 SER N N 84 113.395 110.860 2.535 1
1 1084 . 9 1 1 A 88 88 GLU H H 85 8.271 8.157 0.114 1
1 1085 . 9 1 1 A 88 88 GLU HA H 85 4.239 4.044 0.195 1
1 1090 . 9 1 1 A 88 88 GLU C C 85 177.081 179.132 -2.051 1
1 1091 . 9 1 1 A 88 88 GLU CA C 85 57.140 59.388 -2.248 1
1 1092 . 9 1 1 A 88 88 GLU CB C 85 29.856 29.344 0.512 1
1 1094 . 9 1 1 A 88 88 GLU N N 85 122.554 122.514 0.040 1
1 1095 . 9 1 1 A 89 89 VAL H H 86 7.833 7.795 0.038 1
1 1096 . 9 1 1 A 89 89 VAL HA H 86 3.895 4.038 -0.143 1
1 1104 . 9 1 1 A 89 89 VAL C C 86 177.172 176.892 0.280 1
1 1105 . 9 1 1 A 89 89 VAL CA C 86 63.045 64.067 -1.022 1
1 1106 . 9 1 1 A 89 89 VAL CB C 86 32.107 31.425 0.682 1
1 1109 . 9 1 1 A 89 89 VAL N N 86 119.916 116.083 3.833 1
1 1110 . 9 1 1 A 90 90 TYR H H 87 8.142 7.369 0.773 1
1 1111 . 9 1 1 A 90 90 TYR HA H 87 4.479 4.456 0.023 1
1 1118 . 9 1 1 A 90 90 TYR C C 87 176.637 178.444 -1.807 1
1 1119 . 9 1 1 A 90 90 TYR CA C 87 58.545 60.228 -1.683 1
1 1120 . 9 1 1 A 90 90 TYR CB C 87 37.732 39.221 -1.489 1
1 1121 . 9 1 1 A 90 90 TYR N N 87 122.303 121.146 1.157 1
1 1122 . 9 1 1 A 91 91 SER H H 88 8.090 8.363 -0.273 1
1 1123 . 9 1 1 A 91 91 SER HA H 88 4.335 4.225 0.110 1
1 1126 . 9 1 1 A 91 91 SER C C 88 176.130 176.950 -0.820 1
1 1127 . 9 1 1 A 91 91 SER CA C 88 59.899 62.087 -2.188 1
1 1128 . 9 1 1 A 91 91 SER CB C 88 62.483 62.786 -0.303 1
1 1129 . 9 1 1 A 91 91 SER N N 88 115.828 116.349 -0.521 1
1 1130 . 9 1 1 A 92 92 GLU H H 89 8.234 7.664 0.570 1
1 1131 . 9 1 1 A 92 92 GLU HA H 89 4.213 4.124 0.089 1
1 1136 . 9 1 1 A 92 92 GLU C C 89 177.600 179.251 -1.651 1
1 1137 . 9 1 1 A 92 92 GLU CA C 89 57.701 58.887 -1.186 1
1 1138 . 9 1 1 A 92 92 GLU CB C 89 29.575 28.564 1.011 1
1 1140 . 9 1 1 A 92 92 GLU N N 89 121.225 121.641 -0.416 1
1 1141 . 9 1 1 A 93 93 ALA H H 90 7.960 7.997 -0.037 1
1 1142 . 9 1 1 A 93 93 ALA HA H 90 4.025 4.079 -0.054 1
1 1146 . 9 1 1 A 93 93 ALA C C 90 178.550 179.392 -0.842 1
1 1147 . 9 1 1 A 93 93 ALA CA C 90 54.225 55.085 -0.860 1
1 1148 . 9 1 1 A 93 93 ALA CB C 90 18.325 18.253 0.072 1
1 1149 . 9 1 1 A 93 93 ALA N N 90 122.055 123.365 -1.310 1
1 1150 . 9 1 1 A 94 94 VAL H H 91 7.799 8.307 -0.508 1
1 1151 . 9 1 1 A 94 94 VAL HA H 91 3.818 3.845 -0.027 1
1 1159 . 9 1 1 A 94 94 VAL CA C 91 64.167 65.226 -1.059 1
1 1160 . 9 1 1 A 94 94 VAL CB C 91 31.825 31.079 0.746 1
1 1163 . 9 1 1 A 94 94 VAL N N 91 115.727 117.128 -1.401 1
1 1164 . 9 1 1 A 95 95 LYS H H 92 7.764 7.849 -0.085 1
1 1165 . 9 1 1 A 95 95 LYS HA H 92 4.197 4.236 -0.039 1
1 1174 . 9 1 1 A 95 95 LYS C C 92 177.600 177.912 -0.312 1
1 1175 . 9 1 1 A 95 95 LYS CA C 92 57.139 59.191 -2.052 1
1 1176 . 9 1 1 A 95 95 LYS CB C 92 32.600 32.429 0.171 1
1 1180 . 9 1 1 A 95 95 LYS N N 92 120.823 122.096 -1.273 1
1 1181 . 9 1 1 A 96 96 ARG H H 93 7.970 8.015 -0.045 1
1 1182 . 9 1 1 A 96 96 ARG HA H 93 4.341 4.247 0.094 1
1 1189 . 9 1 1 A 96 96 ARG C C 93 179.703 179.090 0.613 1
1 1190 . 9 1 1 A 96 96 ARG CA C 93 56.295 58.581 -2.286 1
1 1191 . 9 1 1 A 96 96 ARG CB C 93 31.400 30.272 1.128 1
1 1194 . 9 1 1 A 96 96 ARG N N 93 119.070 120.072 -1.002 1
1 1195 . 9 1 1 A 97 97 ILE H H 94 8.012 7.785 0.227 1
1 1196 . 9 1 1 A 97 97 ILE HA H 94 4.216 3.955 0.261 1
1 1206 . 9 1 1 A 97 97 ILE C C 94 175.509 176.914 -1.405 1
1 1207 . 9 1 1 A 97 97 ILE CA C 94 61.362 65.081 -3.719 1
1 1208 . 9 1 1 A 97 97 ILE CB C 94 38.576 38.693 -0.117 1
1 1212 . 9 1 1 A 97 97 ILE N N 94 120.512 120.424 0.088 1
1 16 . 10 1 1 A 5 5 ALA H H 2 8.084 8.394 -0.310 1
1 17 . 10 1 1 A 5 5 ALA HA H 2 4.423 5.097 -0.674 1
1 21 . 10 1 1 A 5 5 ALA C C 2 176.536 175.640 0.896 1
1 22 . 10 1 1 A 5 5 ALA CA C 2 51.634 51.434 0.200 1
1 23 . 10 1 1 A 5 5 ALA CB C 2 19.439 22.689 -3.250 1
1 24 . 10 1 1 A 5 5 ALA N N 2 125.284 127.547 -2.263 1
1 25 . 10 1 1 A 6 6 TYR H H 3 8.406 8.715 -0.309 1
1 26 . 10 1 1 A 6 6 TYR HA H 3 4.312 4.564 -0.252 1
1 33 . 10 1 1 A 6 6 TYR C C 3 175.433 175.743 -0.310 1
1 34 . 10 1 1 A 6 6 TYR CA C 3 57.701 57.775 -0.074 1
1 35 . 10 1 1 A 6 6 TYR CB C 3 39.701 40.139 -0.438 1
1 36 . 10 1 1 A 6 6 TYR N N 3 120.887 121.113 -0.226 1
1 37 . 10 1 1 A 7 7 PHE H H 4 8.703 9.055 -0.352 1
1 38 . 10 1 1 A 7 7 PHE HA H 4 4.645 4.834 -0.189 1
1 45 . 10 1 1 A 7 7 PHE C C 4 173.812 174.913 -1.101 1
1 46 . 10 1 1 A 7 7 PHE CA C 4 56.853 57.603 -0.750 1
1 47 . 10 1 1 A 7 7 PHE CB C 4 40.541 40.345 0.196 1
1 48 . 10 1 1 A 7 7 PHE N N 4 119.295 120.349 -1.054 1
1 49 . 10 1 1 A 8 8 LEU H H 5 8.255 8.718 -0.463 1
1 50 . 10 1 1 A 8 8 LEU HA H 5 4.985 5.245 -0.260 1
1 60 . 10 1 1 A 8 8 LEU C C 5 174.927 174.403 0.524 1
1 61 . 10 1 1 A 8 8 LEU CA C 5 53.544 53.319 0.225 1
1 62 . 10 1 1 A 8 8 LEU CB C 5 44.201 45.946 -1.745 1
1 66 . 10 1 1 A 8 8 LEU N N 5 124.516 122.991 1.525 1
1 67 . 10 1 1 A 9 9 ASP H H 6 9.047 8.678 0.369 1
1 68 . 10 1 1 A 9 9 ASP HA H 6 5.089 5.375 -0.286 1
1 71 . 10 1 1 A 9 9 ASP C C 6 173.216 174.166 -0.950 1
1 72 . 10 1 1 A 9 9 ASP CA C 6 52.278 52.953 -0.675 1
1 73 . 10 1 1 A 9 9 ASP CB C 6 45.326 45.172 0.154 1
1 74 . 10 1 1 A 9 9 ASP N N 6 126.171 124.217 1.954 1
1 75 . 10 1 1 A 10 10 PHE H H 7 8.891 8.852 0.039 1
1 76 . 10 1 1 A 10 10 PHE HA H 7 4.545 4.591 -0.046 1
1 83 . 10 1 1 A 10 10 PHE C C 7 175.218 174.516 0.702 1
1 84 . 10 1 1 A 10 10 PHE CA C 7 56.243 55.887 0.356 1
1 85 . 10 1 1 A 10 10 PHE CB C 7 43.638 42.050 1.588 1
1 86 . 10 1 1 A 10 10 PHE N N 7 119.178 120.336 -1.158 1
1 87 . 10 1 1 A 11 11 ASP H H 8 8.124 8.266 -0.142 1
1 88 . 10 1 1 A 11 11 ASP HA H 8 4.551 4.705 -0.154 1
1 91 . 10 1 1 A 11 11 ASP C C 8 177.157 177.396 -0.239 1
1 92 . 10 1 1 A 11 11 ASP CA C 8 54.315 54.314 0.001 1
1 93 . 10 1 1 A 11 11 ASP CB C 8 44.201 42.564 1.637 1
1 94 . 10 1 1 A 11 11 ASP N N 8 123.305 123.786 -0.481 1
1 95 . 10 1 1 A 12 12 GLU H H 9 9.197 9.048 0.149 1
1 96 . 10 1 1 A 12 12 GLU HA H 9 4.016 4.119 -0.103 1
1 101 . 10 1 1 A 12 12 GLU C C 9 178.880 178.717 0.163 1
1 102 . 10 1 1 A 12 12 GLU CA C 9 60.365 59.130 1.235 1
1 103 . 10 1 1 A 12 12 GLU CB C 9 29.670 29.072 0.598 1
1 105 . 10 1 1 A 12 12 GLU N N 9 127.082 123.106 3.976 1
1 106 . 10 1 1 A 13 13 ARG H H 10 8.949 8.658 0.291 1
1 107 . 10 1 1 A 13 13 ARG HA H 10 4.097 4.040 0.057 1
1 114 . 10 1 1 A 13 13 ARG C C 10 179.273 178.936 0.337 1
1 115 . 10 1 1 A 13 13 ARG CA C 10 58.924 59.255 -0.331 1
1 116 . 10 1 1 A 13 13 ARG CB C 10 30.138 30.286 -0.148 1
1 119 . 10 1 1 A 13 13 ARG N N 10 119.265 119.194 0.071 1
1 120 . 10 1 1 A 14 14 ALA H H 11 7.451 8.211 -0.760 1
1 121 . 10 1 1 A 14 14 ALA HA H 11 4.685 4.191 0.494 1
1 125 . 10 1 1 A 14 14 ALA C C 11 179.564 179.958 -0.394 1
1 126 . 10 1 1 A 14 14 ALA CA C 11 53.705 55.072 -1.367 1
1 127 . 10 1 1 A 14 14 ALA CB C 11 18.325 18.311 0.014 1
1 128 . 10 1 1 A 14 14 ALA N N 11 122.421 121.809 0.612 1
1 129 . 10 1 1 A 15 15 LEU H H 12 8.683 8.273 0.410 1
1 130 . 10 1 1 A 15 15 LEU HA H 12 3.877 3.792 0.085 1
1 140 . 10 1 1 A 15 15 LEU C C 12 178.550 179.483 -0.933 1
1 141 . 10 1 1 A 15 15 LEU CA C 12 57.139 57.702 -0.563 1
1 142 . 10 1 1 A 15 15 LEU CB C 12 41.103 41.078 0.025 1
1 146 . 10 1 1 A 15 15 LEU N N 12 120.118 119.148 0.970 1
1 147 . 10 1 1 A 16 16 LYS H H 13 7.345 7.787 -0.442 1
1 148 . 10 1 1 A 16 16 LYS HA H 13 3.995 3.976 0.019 1
1 157 . 10 1 1 A 16 16 LYS C C 13 179.678 179.850 -0.172 1
1 158 . 10 1 1 A 16 16 LYS CA C 13 59.700 60.408 -0.708 1
1 159 . 10 1 1 A 16 16 LYS CB C 13 32.388 32.084 0.304 1
1 163 . 10 1 1 A 16 16 LYS N N 13 117.725 118.004 -0.279 1
1 164 . 10 1 1 A 17 17 GLU H H 14 7.453 8.137 -0.684 1
1 165 . 10 1 1 A 17 17 GLU HA H 14 4.016 4.123 -0.107 1
1 170 . 10 1 1 A 17 17 GLU C C 14 179.589 179.031 0.558 1
1 171 . 10 1 1 A 17 17 GLU CA C 14 58.841 59.138 -0.297 1
1 172 . 10 1 1 A 17 17 GLU CB C 14 29.298 29.452 -0.154 1
1 174 . 10 1 1 A 17 17 GLU N N 14 118.019 119.652 -1.633 1
1 175 . 10 1 1 A 18 18 TRP H H 15 9.081 8.521 0.560 1
1 176 . 10 1 1 A 18 18 TRP HA H 15 4.174 4.238 -0.064 1
1 183 . 10 1 1 A 18 18 TRP C C 15 178.360 178.378 -0.018 1
1 184 . 10 1 1 A 18 18 TRP CA C 15 59.938 61.048 -1.110 1
1 185 . 10 1 1 A 18 18 TRP CB C 15 30.241 29.512 0.729 1
1 186 . 10 1 1 A 18 18 TRP N N 15 122.628 121.782 0.846 1
1 188 . 10 1 1 A 19 19 ARG H H 16 8.197 8.063 0.134 1
1 189 . 10 1 1 A 19 19 ARG HA H 16 3.863 4.080 -0.217 1
1 196 . 10 1 1 A 19 19 ARG C C 16 177.030 178.965 -1.935 1
1 197 . 10 1 1 A 19 19 ARG CA C 16 58.516 58.671 -0.155 1
1 198 . 10 1 1 A 19 19 ARG CB C 16 30.300 29.823 0.477 1
1 201 . 10 1 1 A 19 19 ARG N N 16 115.582 118.409 -2.827 1
1 202 . 10 1 1 A 20 20 LYS H H 17 7.308 7.616 -0.308 1
1 203 . 10 1 1 A 20 20 LYS HA H 17 4.238 4.074 0.164 1
1 212 . 10 1 1 A 20 20 LYS C C 17 177.043 177.249 -0.206 1
1 213 . 10 1 1 A 20 20 LYS CA C 17 56.270 59.024 -2.754 1
1 214 . 10 1 1 A 20 20 LYS CB C 17 32.300 31.932 0.368 1
1 218 . 10 1 1 A 20 20 LYS N N 17 116.689 119.524 -2.835 1
1 219 . 10 1 1 A 21 21 LEU H H 18 6.998 7.422 -0.424 1
1 220 . 10 1 1 A 21 21 LEU HA H 18 4.026 4.091 -0.065 1
1 230 . 10 1 1 A 21 21 LEU C C 18 177.676 177.402 0.274 1
1 231 . 10 1 1 A 21 21 LEU CA C 18 54.567 55.360 -0.793 1
1 232 . 10 1 1 A 21 21 LEU CB C 18 43.357 42.066 1.291 1
1 236 . 10 1 1 A 21 21 LEU N N 18 118.778 120.748 -1.970 1
1 237 . 10 1 1 A 22 22 GLY H H 19 8.370 8.340 0.030 1
1 238 . 10 1 1 A 22 22 GLY HA2 H 19 4.064 3.943 0.121 1
1 239 . 10 1 1 A 22 22 GLY HA3 H 19 3.845 3.968 -0.123 1
1 240 . 10 1 1 A 22 22 GLY C C 19 174.813 174.813 0.000 1
1 241 . 10 1 1 A 22 22 GLY CA C 19 45.045 45.262 -0.217 1
1 242 . 10 1 1 A 22 22 GLY N N 19 107.490 109.549 -2.059 1
1 243 . 10 1 1 A 23 23 SER H H 20 8.675 8.845 -0.170 1
1 244 . 10 1 1 A 23 23 SER HA H 20 4.288 3.948 0.340 1
1 247 . 10 1 1 A 23 23 SER CA C 20 58.981 62.523 -3.542 1
1 248 . 10 1 1 A 23 23 SER CB C 20 63.045 62.717 0.328 1
1 249 . 10 1 1 A 23 23 SER N N 20 117.877 117.656 0.221 1
1 250 . 10 1 1 A 24 24 THR H H 21 8.216 7.961 0.255 1
1 251 . 10 1 1 A 24 24 THR HA H 21 3.983 3.933 0.050 1
1 256 . 10 1 1 A 24 24 THR C C 21 176.510 176.708 -0.198 1
1 257 . 10 1 1 A 24 24 THR CA C 21 65.858 66.344 -0.486 1
1 258 . 10 1 1 A 24 24 THR CB C 21 67.941 68.050 -0.109 1
1 260 . 10 1 1 A 24 24 THR N N 21 115.680 117.647 -1.967 1
1 261 . 10 1 1 A 25 25 VAL H H 22 7.143 7.741 -0.598 1
1 262 . 10 1 1 A 25 25 VAL HA H 22 3.545 3.390 0.155 1
1 270 . 10 1 1 A 25 25 VAL C C 22 177.613 177.674 -0.061 1
1 271 . 10 1 1 A 25 25 VAL CA C 22 65.577 66.665 -1.088 1
1 272 . 10 1 1 A 25 25 VAL CB C 22 31.544 31.277 0.267 1
1 275 . 10 1 1 A 25 25 VAL N N 22 122.443 121.744 0.699 1
1 276 . 10 1 1 A 26 26 ARG H H 23 7.840 8.113 -0.273 1
1 277 . 10 1 1 A 26 26 ARG HA H 23 3.156 3.697 -0.541 1
1 284 . 10 1 1 A 26 26 ARG C C 23 177.790 178.374 -0.584 1
1 285 . 10 1 1 A 26 26 ARG CA C 23 59.951 58.486 1.465 1
1 286 . 10 1 1 A 26 26 ARG CB C 23 29.590 29.020 0.570 1
1 289 . 10 1 1 A 26 26 ARG N N 23 119.146 119.738 -0.592 1
1 290 . 10 1 1 A 27 27 GLU H H 24 8.159 8.533 -0.374 1
1 291 . 10 1 1 A 27 27 GLU HA H 24 3.970 4.066 -0.096 1
1 296 . 10 1 1 A 27 27 GLU C C 24 179.577 179.462 0.115 1
1 297 . 10 1 1 A 27 27 GLU CA C 24 59.400 59.019 0.381 1
1 298 . 10 1 1 A 27 27 GLU CB C 24 29.013 29.102 -0.089 1
1 300 . 10 1 1 A 27 27 GLU N N 24 116.672 118.771 -2.099 1
1 301 . 10 1 1 A 28 28 GLN H H 25 7.693 7.580 0.113 1
1 302 . 10 1 1 A 28 28 GLN HA H 25 4.094 4.059 0.035 1
1 309 . 10 1 1 A 28 28 GLN C C 25 179.919 179.689 0.230 1
1 310 . 10 1 1 A 28 28 GLN CA C 25 59.108 58.838 0.270 1
1 311 . 10 1 1 A 28 28 GLN CB C 25 29.575 28.352 1.223 1
1 313 . 10 1 1 A 28 28 GLN N N 25 118.482 119.005 -0.523 1
1 315 . 10 1 1 A 29 29 LEU H H 26 8.441 8.168 0.273 1
1 316 . 10 1 1 A 29 29 LEU HA H 26 4.096 4.183 -0.087 1
1 326 . 10 1 1 A 29 29 LEU C C 26 178.804 179.575 -0.771 1
1 327 . 10 1 1 A 29 29 LEU CA C 26 57.983 58.125 -0.142 1
1 328 . 10 1 1 A 29 29 LEU CB C 26 42.513 41.462 1.051 1
1 332 . 10 1 1 A 29 29 LEU N N 26 119.907 120.649 -0.742 1
1 333 . 10 1 1 A 30 30 LYS H H 27 9.233 8.875 0.358 1
1 334 . 10 1 1 A 30 30 LYS HA H 27 4.076 4.188 -0.112 1
1 343 . 10 1 1 A 30 30 LYS C C 27 178.056 178.708 -0.652 1
1 344 . 10 1 1 A 30 30 LYS CA C 27 60.233 59.836 0.397 1
1 345 . 10 1 1 A 30 30 LYS CB C 27 32.103 32.682 -0.579 1
1 349 . 10 1 1 A 30 30 LYS N N 27 120.508 120.411 0.097 1
1 350 . 10 1 1 A 31 31 LYS H H 28 7.698 7.577 0.121 1
1 351 . 10 1 1 A 31 31 LYS HA H 28 4.056 4.094 -0.038 1
1 360 . 10 1 1 A 31 31 LYS C C 28 179.539 179.787 -0.248 1
1 361 . 10 1 1 A 31 31 LYS CA C 28 59.596 59.808 -0.212 1
1 362 . 10 1 1 A 31 31 LYS CB C 28 32.400 32.128 0.272 1
1 366 . 10 1 1 A 31 31 LYS N N 28 117.412 118.045 -0.633 1
1 367 . 10 1 1 A 32 32 LYS H H 29 7.347 7.570 -0.223 1
1 368 . 10 1 1 A 32 32 LYS HA H 29 4.230 4.026 0.204 1
1 377 . 10 1 1 A 32 32 LYS C C 29 179.057 179.169 -0.112 1
1 378 . 10 1 1 A 32 32 LYS CA C 29 57.553 59.602 -2.049 1
1 379 . 10 1 1 A 32 32 LYS CB C 29 32.103 32.448 -0.345 1
1 383 . 10 1 1 A 32 32 LYS N N 29 116.983 119.991 -3.008 1
1 384 . 10 1 1 A 33 33 LEU H H 30 8.663 8.063 0.600 1
1 385 . 10 1 1 A 33 33 LEU HA H 30 3.844 3.948 -0.104 1
1 395 . 10 1 1 A 33 33 LEU C C 30 177.765 179.186 -1.421 1
1 396 . 10 1 1 A 33 33 LEU CA C 30 57.420 57.923 -0.503 1
1 397 . 10 1 1 A 33 33 LEU CB C 30 42.513 41.748 0.765 1
1 401 . 10 1 1 A 33 33 LEU N N 30 121.134 120.033 1.101 1
1 402 . 10 1 1 A 34 34 VAL H H 31 8.185 8.408 -0.223 1
1 403 . 10 1 1 A 34 34 VAL HA H 31 3.548 3.745 -0.197 1
1 411 . 10 1 1 A 34 34 VAL C C 31 178.639 177.422 1.217 1
1 412 . 10 1 1 A 34 34 VAL CA C 31 66.702 65.287 1.415 1
1 413 . 10 1 1 A 34 34 VAL CB C 31 31.544 31.203 0.341 1
1 416 . 10 1 1 A 34 34 VAL N N 31 117.076 119.411 -2.335 1
1 417 . 10 1 1 A 35 35 GLU H H 32 7.143 8.342 -1.199 1
1 418 . 10 1 1 A 35 35 GLU HA H 32 4.093 4.082 0.011 1
1 423 . 10 1 1 A 35 35 GLU C C 32 179.450 178.642 0.808 1
1 424 . 10 1 1 A 35 35 GLU CA C 32 58.264 59.078 -0.814 1
1 425 . 10 1 1 A 35 35 GLU CB C 32 29.575 29.163 0.412 1
1 427 . 10 1 1 A 35 35 GLU N N 32 117.290 119.772 -2.482 1
1 428 . 10 1 1 A 36 36 VAL H H 33 7.659 8.109 -0.450 1
1 429 . 10 1 1 A 36 36 VAL HA H 33 3.774 3.822 -0.048 1
1 437 . 10 1 1 A 36 36 VAL C C 33 176.929 177.686 -0.757 1
1 438 . 10 1 1 A 36 36 VAL CA C 33 63.889 64.958 -1.069 1
1 439 . 10 1 1 A 36 36 VAL CB C 33 31.825 31.223 0.602 1
1 442 . 10 1 1 A 36 36 VAL N N 33 118.056 119.724 -1.668 1
1 443 . 10 1 1 A 37 37 LEU H H 34 7.679 7.848 -0.169 1
1 444 . 10 1 1 A 37 37 LEU HA H 34 3.619 3.854 -0.235 1
1 454 . 10 1 1 A 37 37 LEU C C 34 177.968 179.621 -1.653 1
1 455 . 10 1 1 A 37 37 LEU CA C 34 57.420 57.194 0.226 1
1 456 . 10 1 1 A 37 37 LEU CB C 34 40.263 41.439 -1.176 1
1 460 . 10 1 1 A 37 37 LEU N N 34 116.847 121.096 -4.249 1
1 461 . 10 1 1 A 38 38 GLU H H 35 7.238 8.511 -1.273 1
1 462 . 10 1 1 A 38 38 GLU HA H 35 4.295 4.294 0.001 1
1 467 . 10 1 1 A 38 38 GLU C C 35 177.853 176.579 1.274 1
1 468 . 10 1 1 A 38 38 GLU CA C 35 57.900 58.251 -0.351 1
1 469 . 10 1 1 A 38 38 GLU CB C 35 30.138 28.535 1.603 1
1 471 . 10 1 1 A 38 38 GLU N N 35 113.881 116.802 -2.921 1
1 472 . 10 1 1 A 39 39 SER H H 36 7.101 7.858 -0.757 1
1 473 . 10 1 1 A 39 39 SER HA H 36 4.518 4.751 -0.233 1
1 476 . 10 1 1 A 39 39 SER CA C 36 55.553 55.504 0.049 1
1 477 . 10 1 1 A 39 39 SER CB C 36 61.920 62.696 -0.776 1
1 478 . 10 1 1 A 39 39 SER N N 36 109.128 113.656 -4.528 1
1 479 . 10 1 1 A 40 40 PRO HA H 37 4.363 4.311 0.052 1
1 486 . 10 1 1 A 40 40 PRO C C 37 177.879 177.045 0.834 1
1 487 . 10 1 1 A 40 40 PRO CA C 37 64.705 63.566 1.139 1
1 488 . 10 1 1 A 40 40 PRO CB C 37 32.669 32.004 0.665 1
1 491 . 10 1 1 A 41 41 ARG H H 38 8.299 8.123 0.176 1
1 492 . 10 1 1 A 41 41 ARG HA H 38 3.183 4.441 -1.258 1
1 499 . 10 1 1 A 41 41 ARG C C 38 174.217 175.602 -1.385 1
1 500 . 10 1 1 A 41 41 ARG CA C 38 56.014 56.016 -0.002 1
1 501 . 10 1 1 A 41 41 ARG CB C 38 29.571 29.758 -0.187 1
1 504 . 10 1 1 A 41 41 ARG N N 38 121.121 115.430 5.691 1
1 505 . 10 1 1 A 42 42 ILE H H 39 5.995 7.493 -1.498 1
1 506 . 10 1 1 A 42 42 ILE HA H 39 4.177 4.287 -0.110 1
1 516 . 10 1 1 A 42 42 ILE C C 39 176.295 177.691 -1.396 1
1 517 . 10 1 1 A 42 42 ILE CA C 39 59.389 61.437 -2.048 1
1 518 . 10 1 1 A 42 42 ILE CB C 39 39.138 37.082 2.056 1
1 522 . 10 1 1 A 42 42 ILE N N 39 128.247 122.261 5.986 1
1 523 . 10 1 1 A 43 43 GLU H H 40 8.893 8.931 -0.038 1
1 524 . 10 1 1 A 43 43 GLU HA H 40 4.174 4.056 0.118 1
1 529 . 10 1 1 A 43 43 GLU C C 40 178.918 178.380 0.538 1
1 530 . 10 1 1 A 43 43 GLU CA C 40 60.336 59.010 1.326 1
1 531 . 10 1 1 A 43 43 GLU CB C 40 29.100 29.045 0.055 1
1 533 . 10 1 1 A 43 43 GLU N N 40 130.055 127.592 2.463 1
1 534 . 10 1 1 A 44 44 ALA H H 41 8.851 7.768 1.083 1
1 535 . 10 1 1 A 44 44 ALA HA H 41 4.222 4.156 0.066 1
1 539 . 10 1 1 A 44 44 ALA C C 41 178.069 178.080 -0.011 1
1 540 . 10 1 1 A 44 44 ALA CA C 41 54.148 53.885 0.263 1
1 541 . 10 1 1 A 44 44 ALA CB C 41 18.606 18.375 0.231 1
1 542 . 10 1 1 A 44 44 ALA N N 41 119.773 122.328 -2.555 1
1 543 . 10 1 1 A 45 45 ASN H H 42 8.176 7.995 0.181 1
1 544 . 10 1 1 A 45 45 ASN HA H 42 5.046 4.781 0.265 1
1 549 . 10 1 1 A 45 45 ASN C C 42 174.521 175.573 -1.052 1
1 550 . 10 1 1 A 45 45 ASN CA C 42 51.495 53.286 -1.791 1
1 551 . 10 1 1 A 45 45 ASN CB C 42 38.853 39.527 -0.674 1
1 552 . 10 1 1 A 45 45 ASN N N 42 114.425 114.910 -0.485 1
1 554 . 10 1 1 A 46 46 LYS H H 43 7.524 7.348 0.176 1
1 555 . 10 1 1 A 46 46 LYS HA H 43 3.769 4.018 -0.249 1
1 564 . 10 1 1 A 46 46 LYS C C 43 176.143 176.163 -0.020 1
1 565 . 10 1 1 A 46 46 LYS CA C 43 56.858 56.233 0.625 1
1 566 . 10 1 1 A 46 46 LYS CB C 43 33.232 32.610 0.622 1
1 570 . 10 1 1 A 46 46 LYS N N 43 122.393 120.428 1.965 1
1 571 . 10 1 1 A 47 47 LEU H H 44 7.982 8.725 -0.743 1
1 572 . 10 1 1 A 47 47 LEU HA H 44 4.374 4.283 0.091 1
1 582 . 10 1 1 A 47 47 LEU C C 44 176.143 176.689 -0.546 1
1 583 . 10 1 1 A 47 47 LEU CA C 44 53.746 54.647 -0.901 1
1 584 . 10 1 1 A 47 47 LEU CB C 44 41.951 41.964 -0.013 1
1 588 . 10 1 1 A 47 47 LEU N N 44 127.624 123.400 4.224 1
1 589 . 10 1 1 A 48 48 ARG H H 45 8.549 8.666 -0.117 1
1 590 . 10 1 1 A 48 48 ARG HA H 45 4.346 4.033 0.313 1
1 597 . 10 1 1 A 48 48 ARG CA C 45 55.800 57.799 -1.999 1
1 598 . 10 1 1 A 48 48 ARG CB C 45 31.263 30.159 1.104 1
1 601 . 10 1 1 A 48 48 ARG N N 45 125.873 124.300 1.573 1
1 602 . 10 1 1 A 49 49 GLY H H 46 8.800 8.750 0.050 1
1 603 . 10 1 1 A 49 49 GLY HA2 H 46 3.760 3.939 -0.179 1
1 604 . 10 1 1 A 49 49 GLY HA3 H 46 4.070 3.946 0.124 1
1 605 . 10 1 1 A 49 49 GLY C C 46 173.482 173.891 -0.409 1
1 606 . 10 1 1 A 49 49 GLY CA C 46 45.326 46.093 -0.767 1
1 607 . 10 1 1 A 49 49 GLY N N 46 111.980 114.198 -2.218 1
1 608 . 10 1 1 A 50 50 MET H H 47 7.272 7.236 0.036 1
1 609 . 10 1 1 A 50 50 MET HA H 47 4.921 4.990 -0.069 1
1 617 . 10 1 1 A 50 50 MET CA C 47 52.049 52.977 -0.928 1
1 618 . 10 1 1 A 50 50 MET CB C 47 33.794 35.375 -1.581 1
1 621 . 10 1 1 A 50 50 MET N N 47 119.077 118.664 0.413 1
1 622 . 10 1 1 A 51 51 PRO HA H 48 4.294 4.474 -0.180 1
1 629 . 10 1 1 A 51 51 PRO C C 48 176.460 176.891 -0.431 1
1 630 . 10 1 1 A 51 51 PRO CA C 48 63.879 63.055 0.824 1
1 631 . 10 1 1 A 51 51 PRO CB C 48 31.825 30.755 1.070 1
1 634 . 10 1 1 A 52 52 ASP H H 49 8.661 8.456 0.205 1
1 635 . 10 1 1 A 52 52 ASP HA H 49 4.487 4.059 0.428 1
1 638 . 10 1 1 A 52 52 ASP C C 49 174.065 174.925 -0.860 1
1 639 . 10 1 1 A 52 52 ASP CA C 49 56.042 54.931 1.111 1
1 640 . 10 1 1 A 52 52 ASP CB C 49 41.107 39.819 1.288 1
1 641 . 10 1 1 A 52 52 ASP N N 49 116.477 117.138 -0.661 1
1 642 . 10 1 1 A 53 53 CYS H H 50 7.575 7.852 -0.277 1
1 643 . 10 1 1 A 53 53 CYS HA H 50 5.835 5.230 0.605 1
1 646 . 10 1 1 A 53 53 CYS C C 50 173.444 173.359 0.085 1
1 647 . 10 1 1 A 53 53 CYS CA C 50 58.110 57.987 0.123 1
1 648 . 10 1 1 A 53 53 CYS CB C 50 30.700 29.663 1.037 1
1 649 . 10 1 1 A 53 53 CYS N N 50 114.414 117.536 -3.122 1
1 650 . 10 1 1 A 54 54 TYR H H 51 8.806 9.399 -0.593 1
1 651 . 10 1 1 A 54 54 TYR HA H 51 4.737 5.194 -0.457 1
1 658 . 10 1 1 A 54 54 TYR C C 51 172.950 174.112 -1.162 1
1 659 . 10 1 1 A 54 54 TYR CA C 51 56.066 55.900 0.166 1
1 660 . 10 1 1 A 54 54 TYR CB C 51 42.794 42.704 0.090 1
1 661 . 10 1 1 A 54 54 TYR N N 51 120.858 120.722 0.136 1
1 662 . 10 1 1 A 55 55 LYS H H 52 8.425 9.140 -0.715 1
1 663 . 10 1 1 A 55 55 LYS HA H 52 5.687 5.119 0.568 1
1 672 . 10 1 1 A 55 55 LYS C C 52 176.498 174.994 1.504 1
1 673 . 10 1 1 A 55 55 LYS CA C 52 53.291 54.311 -1.020 1
1 674 . 10 1 1 A 55 55 LYS CB C 52 36.325 35.666 0.659 1
1 678 . 10 1 1 A 55 55 LYS N N 52 115.794 118.941 -3.147 1
1 679 . 10 1 1 A 56 56 ILE H H 53 9.187 8.999 0.188 1
1 680 . 10 1 1 A 56 56 ILE HA H 53 4.416 4.955 -0.539 1
1 690 . 10 1 1 A 56 56 ILE C C 53 174.572 175.333 -0.761 1
1 691 . 10 1 1 A 56 56 ILE CA C 53 60.971 60.131 0.840 1
1 692 . 10 1 1 A 56 56 ILE CB C 53 41.388 41.055 0.333 1
1 696 . 10 1 1 A 56 56 ILE N N 53 120.315 123.642 -3.327 1
1 697 . 10 1 1 A 57 57 LYS H H 54 8.755 8.910 -0.155 1
1 698 . 10 1 1 A 57 57 LYS HA H 54 5.043 5.149 -0.106 1
1 707 . 10 1 1 A 57 57 LYS C C 54 175.193 175.354 -0.161 1
1 708 . 10 1 1 A 57 57 LYS CA C 54 54.359 55.117 -0.758 1
1 709 . 10 1 1 A 57 57 LYS CB C 54 35.482 34.645 0.837 1
1 713 . 10 1 1 A 57 57 LYS N N 54 125.616 125.353 0.263 1
1 714 . 10 1 1 A 58 58 LEU H H 55 8.449 9.177 -0.728 1
1 715 . 10 1 1 A 58 58 LEU HA H 55 4.796 4.580 0.216 1
1 725 . 10 1 1 A 58 58 LEU CA C 55 53.201 55.113 -1.912 1
1 726 . 10 1 1 A 58 58 LEU CB C 55 41.669 43.695 -2.026 1
1 730 . 10 1 1 A 58 58 LEU N N 55 124.214 125.565 -1.351 1
1 731 . 10 1 1 A 59 59 ARG HA H 56 4.008 4.143 -0.135 1
1 738 . 10 1 1 A 59 59 ARG CA C 56 57.420 58.289 -0.869 1
1 739 . 10 1 1 A 59 59 ARG CB C 56 29.575 30.082 -0.507 1
1 742 . 10 1 1 A 60 60 SER HA H 57 4.246 4.321 -0.075 1
1 745 . 10 1 1 A 60 60 SER CA C 57 59.798 61.020 -1.222 1
1 746 . 10 1 1 A 60 60 SER CB C 57 63.045 63.475 -0.430 1
1 747 . 10 1 1 A 61 61 SER HA H 58 4.616 4.694 -0.078 1
1 750 . 10 1 1 A 61 61 SER C C 58 175.155 173.779 1.376 1
1 751 . 10 1 1 A 61 61 SER CA C 58 58.010 57.422 0.588 1
1 752 . 10 1 1 A 61 61 SER CB C 58 64.452 65.270 -0.818 1
1 753 . 10 1 1 A 62 62 GLY H H 59 8.217 9.029 -0.812 1
1 754 . 10 1 1 A 62 62 GLY HA2 H 59 3.926 3.827 0.099 1
1 755 . 10 1 1 A 62 62 GLY HA3 H 59 4.010 3.873 0.137 1
1 756 . 10 1 1 A 62 62 GLY C C 59 174.407 173.699 0.708 1
1 757 . 10 1 1 A 62 62 GLY CA C 59 45.888 46.950 -1.062 1
1 758 . 10 1 1 A 62 62 GLY N N 59 109.272 112.707 -3.435 1
1 759 . 10 1 1 A 63 63 TYR H H 60 7.463 8.332 -0.869 1
1 760 . 10 1 1 A 63 63 TYR HA H 60 4.629 4.803 -0.174 1
1 767 . 10 1 1 A 63 63 TYR C C 60 175.117 175.649 -0.532 1
1 768 . 10 1 1 A 63 63 TYR CA C 60 59.857 57.682 2.175 1
1 769 . 10 1 1 A 63 63 TYR CB C 60 41.388 40.896 0.492 1
1 770 . 10 1 1 A 63 63 TYR N N 60 117.638 119.545 -1.907 1
1 771 . 10 1 1 A 64 64 ARG H H 61 9.261 9.350 -0.089 1
1 772 . 10 1 1 A 64 64 ARG HA H 61 5.458 5.421 0.037 1
1 779 . 10 1 1 A 64 64 ARG C C 61 173.596 174.540 -0.944 1
1 780 . 10 1 1 A 64 64 ARG CA C 61 53.880 54.624 -0.744 1
1 781 . 10 1 1 A 64 64 ARG CB C 61 34.357 33.877 0.480 1
1 784 . 10 1 1 A 64 64 ARG N N 61 119.605 121.166 -1.561 1
1 785 . 10 1 1 A 65 65 LEU H H 62 9.085 9.291 -0.206 1
1 786 . 10 1 1 A 65 65 LEU HA H 62 5.432 5.312 0.120 1
1 796 . 10 1 1 A 65 65 LEU C C 62 174.534 174.562 -0.028 1
1 797 . 10 1 1 A 65 65 LEU CA C 62 53.795 53.529 0.266 1
1 798 . 10 1 1 A 65 65 LEU CB C 62 46.732 45.527 1.205 1
1 802 . 10 1 1 A 65 65 LEU N N 62 125.189 125.147 0.042 1
1 803 . 10 1 1 A 66 66 VAL H H 63 9.058 9.163 -0.105 1
1 804 . 10 1 1 A 66 66 VAL HA H 63 4.991 5.014 -0.023 1
1 812 . 10 1 1 A 66 66 VAL C C 63 174.699 175.056 -0.357 1
1 813 . 10 1 1 A 66 66 VAL CA C 63 60.795 60.754 0.041 1
1 814 . 10 1 1 A 66 66 VAL CB C 63 34.075 33.221 0.854 1
1 817 . 10 1 1 A 66 66 VAL N N 63 125.140 126.677 -1.537 1
1 818 . 10 1 1 A 67 67 TYR H H 64 9.091 8.738 0.353 1
1 819 . 10 1 1 A 67 67 TYR HA H 64 5.659 5.602 0.057 1
1 826 . 10 1 1 A 67 67 TYR C C 64 170.910 173.044 -2.134 1
1 827 . 10 1 1 A 67 67 TYR CA C 64 54.286 55.025 -0.739 1
1 828 . 10 1 1 A 67 67 TYR CB C 64 41.951 41.853 0.098 1
1 829 . 10 1 1 A 67 67 TYR N N 64 124.150 124.118 0.032 1
1 830 . 10 1 1 A 68 68 GLN H H 65 9.814 9.378 0.436 1
1 831 . 10 1 1 A 68 68 GLN HA H 65 5.510 5.455 0.055 1
1 838 . 10 1 1 A 68 68 GLN C C 65 175.725 174.645 1.080 1
1 839 . 10 1 1 A 68 68 GLN CA C 65 53.092 54.457 -1.365 1
1 840 . 10 1 1 A 68 68 GLN CB C 65 32.600 31.766 0.834 1
1 842 . 10 1 1 A 68 68 GLN N N 65 123.050 119.045 4.005 1
1 844 . 10 1 1 A 69 69 VAL H H 66 9.198 9.380 -0.182 1
1 845 . 10 1 1 A 69 69 VAL HA H 66 4.369 4.507 -0.138 1
1 853 . 10 1 1 A 69 69 VAL C C 66 175.357 175.020 0.337 1
1 854 . 10 1 1 A 69 69 VAL CA C 66 63.045 61.986 1.059 1
1 855 . 10 1 1 A 69 69 VAL CB C 66 32.669 32.474 0.195 1
1 858 . 10 1 1 A 69 69 VAL N N 66 127.343 123.868 3.475 1
1 859 . 10 1 1 A 70 70 ILE H H 67 9.241 9.305 -0.064 1
1 860 . 10 1 1 A 70 70 ILE HA H 67 4.471 4.443 0.028 1
1 870 . 10 1 1 A 70 70 ILE C C 67 177.081 176.125 0.956 1
1 871 . 10 1 1 A 70 70 ILE CA C 67 59.716 60.716 -1.000 1
1 872 . 10 1 1 A 70 70 ILE CB C 67 37.169 36.987 0.182 1
1 876 . 10 1 1 A 70 70 ILE N N 67 129.254 127.616 1.638 1
1 877 . 10 1 1 A 71 71 ASP H H 68 9.374 8.830 0.544 1
1 878 . 10 1 1 A 71 71 ASP HA H 68 4.574 4.478 0.096 1
1 881 . 10 1 1 A 71 71 ASP C C 68 179.868 177.910 1.958 1
1 882 . 10 1 1 A 71 71 ASP CA C 68 58.797 57.452 1.345 1
1 883 . 10 1 1 A 71 71 ASP CB C 68 40.544 40.658 -0.114 1
1 884 . 10 1 1 A 71 71 ASP N N 68 129.133 128.886 0.247 1
1 885 . 10 1 1 A 72 72 GLU H H 69 9.631 8.256 1.375 1
1 886 . 10 1 1 A 72 72 GLU HA H 69 4.088 4.109 -0.021 1
1 891 . 10 1 1 A 72 72 GLU C C 69 176.865 177.804 -0.939 1
1 892 . 10 1 1 A 72 72 GLU CA C 69 59.670 59.261 0.409 1
1 893 . 10 1 1 A 72 72 GLU CB C 69 29.100 29.773 -0.673 1
1 895 . 10 1 1 A 72 72 GLU N N 69 118.880 118.828 0.052 1
1 896 . 10 1 1 A 73 73 LYS H H 70 6.582 7.709 -1.127 1
1 897 . 10 1 1 A 73 73 LYS HA H 70 4.474 4.423 0.051 1
1 906 . 10 1 1 A 73 73 LYS C C 70 173.964 175.971 -2.007 1
1 907 . 10 1 1 A 73 73 LYS CA C 70 54.604 55.735 -1.131 1
1 908 . 10 1 1 A 73 73 LYS CB C 70 34.075 32.612 1.463 1
1 912 . 10 1 1 A 73 73 LYS N N 70 114.014 116.974 -2.960 1
1 913 . 10 1 1 A 74 74 VAL H H 71 7.791 7.967 -0.176 1
1 914 . 10 1 1 A 74 74 VAL HA H 71 2.948 3.625 -0.677 1
1 922 . 10 1 1 A 74 74 VAL C C 71 173.381 174.892 -1.511 1
1 923 . 10 1 1 A 74 74 VAL CA C 71 63.045 63.123 -0.078 1
1 924 . 10 1 1 A 74 74 VAL CB C 71 29.013 29.986 -0.973 1
1 927 . 10 1 1 A 74 74 VAL N N 71 119.301 118.444 0.857 1
1 928 . 10 1 1 A 75 75 VAL H H 72 7.736 8.074 -0.338 1
1 929 . 10 1 1 A 75 75 VAL HA H 72 5.159 5.002 0.157 1
1 937 . 10 1 1 A 75 75 VAL C C 72 175.028 173.957 1.071 1
1 938 . 10 1 1 A 75 75 VAL CA C 72 59.839 60.460 -0.621 1
1 939 . 10 1 1 A 75 75 VAL CB C 72 37.732 35.793 1.939 1
1 942 . 10 1 1 A 75 75 VAL N N 72 116.865 120.967 -4.102 1
1 943 . 10 1 1 A 76 76 VAL H H 73 9.006 9.371 -0.365 1
1 944 . 10 1 1 A 76 76 VAL HA H 73 4.190 4.660 -0.470 1
1 952 . 10 1 1 A 76 76 VAL C C 73 172.177 174.522 -2.345 1
1 953 . 10 1 1 A 76 76 VAL CA C 73 62.473 60.882 1.591 1
1 954 . 10 1 1 A 76 76 VAL CB C 73 32.388 32.627 -0.239 1
1 957 . 10 1 1 A 76 76 VAL N N 73 128.675 128.222 0.453 1
1 958 . 10 1 1 A 77 77 PHE H H 74 9.468 9.416 0.052 1
1 959 . 10 1 1 A 77 77 PHE HA H 74 5.019 5.364 -0.345 1
1 966 . 10 1 1 A 77 77 PHE C C 74 174.420 173.995 0.425 1
1 967 . 10 1 1 A 77 77 PHE CA C 74 54.378 55.451 -1.073 1
1 968 . 10 1 1 A 77 77 PHE CB C 74 42.230 40.821 1.409 1
1 969 . 10 1 1 A 77 77 PHE N N 74 130.014 128.572 1.442 1
1 970 . 10 1 1 A 78 78 VAL H H 75 8.990 8.884 0.106 1
1 971 . 10 1 1 A 78 78 VAL HA H 75 3.645 3.954 -0.309 1
1 979 . 10 1 1 A 78 78 VAL C C 75 174.813 175.314 -0.501 1
1 980 . 10 1 1 A 78 78 VAL CA C 75 64.452 63.389 1.063 1
1 981 . 10 1 1 A 78 78 VAL CB C 75 31.009 31.035 -0.026 1
1 984 . 10 1 1 A 78 78 VAL N N 75 128.474 127.225 1.249 1
1 985 . 10 1 1 A 79 79 ILE H H 76 8.679 9.181 -0.502 1
1 986 . 10 1 1 A 79 79 ILE HA H 76 4.171 4.066 0.105 1
1 996 . 10 1 1 A 79 79 ILE C C 76 176.092 175.853 0.239 1
1 997 . 10 1 1 A 79 79 ILE CA C 76 61.635 62.401 -0.766 1
1 998 . 10 1 1 A 79 79 ILE CB C 76 39.982 38.496 1.486 1
1 1002 . 10 1 1 A 79 79 ILE N N 76 122.334 128.786 -6.452 1
1 1003 . 10 1 1 A 80 80 SER H H 77 7.614 7.759 -0.145 1
1 1004 . 10 1 1 A 80 80 SER HA H 77 4.724 5.004 -0.280 1
1 1007 . 10 1 1 A 80 80 SER C C 77 172.545 172.128 0.417 1
1 1008 . 10 1 1 A 80 80 SER CA C 77 57.849 57.788 0.061 1
1 1009 . 10 1 1 A 80 80 SER CB C 77 64.733 67.124 -2.391 1
1 1010 . 10 1 1 A 80 80 SER N N 77 113.369 114.384 -1.015 1
1 1011 . 10 1 1 A 81 81 VAL H H 78 8.814 8.706 0.108 1
1 1012 . 10 1 1 A 81 81 VAL HA H 78 5.102 5.191 -0.089 1
1 1020 . 10 1 1 A 81 81 VAL C C 78 173.761 174.622 -0.861 1
1 1021 . 10 1 1 A 81 81 VAL CA C 78 61.004 59.837 1.167 1
1 1022 . 10 1 1 A 81 81 VAL CB C 78 34.638 35.590 -0.952 1
1 1025 . 10 1 1 A 81 81 VAL N N 78 123.792 121.283 2.509 1
1 1026 . 10 1 1 A 82 82 GLY H H 79 8.628 8.558 0.070 1
1 1027 . 10 1 1 A 82 82 GLY HA2 H 79 4.365 4.325 0.040 1
1 1028 . 10 1 1 A 82 82 GLY HA3 H 79 4.214 4.525 -0.311 1
1 1029 . 10 1 1 A 82 82 GLY C C 79 171.201 171.770 -0.569 1
1 1030 . 10 1 1 A 82 82 GLY CA C 79 45.606 45.536 0.070 1
1 1031 . 10 1 1 A 82 82 GLY N N 79 111.112 113.800 -2.688 1
1 1032 . 10 1 1 A 83 83 LYS H H 80 8.670 8.260 0.410 1
1 1033 . 10 1 1 A 83 83 LYS HA H 80 4.205 4.170 0.035 1
1 1042 . 10 1 1 A 83 83 LYS C C 80 176.080 177.048 -0.968 1
1 1043 . 10 1 1 A 83 83 LYS CA C 80 55.451 55.371 0.080 1
1 1044 . 10 1 1 A 83 83 LYS CB C 80 32.665 33.434 -0.769 1
1 1048 . 10 1 1 A 83 83 LYS N N 80 120.943 121.396 -0.453 1
1 1049 . 10 1 1 A 84 84 ALA H H 81 8.049 8.269 -0.220 1
1 1050 . 10 1 1 A 84 84 ALA HA H 81 4.182 4.889 -0.707 1
1 1054 . 10 1 1 A 84 84 ALA C C 81 176.941 177.990 -1.049 1
1 1055 . 10 1 1 A 84 84 ALA CA C 81 52.248 50.727 1.521 1
1 1056 . 10 1 1 A 84 84 ALA CB C 81 19.450 19.933 -0.483 1
1 1057 . 10 1 1 A 84 84 ALA N N 81 125.262 123.991 1.271 1
1 1058 . 10 1 1 A 85 85 GLU H H 82 8.460 8.093 0.367 1
1 1059 . 10 1 1 A 85 85 GLU HA H 82 4.230 3.905 0.325 1
1 1064 . 10 1 1 A 85 85 GLU C C 82 176.599 177.282 -0.683 1
1 1065 . 10 1 1 A 85 85 GLU CA C 82 56.446 59.793 -3.347 1
1 1066 . 10 1 1 A 85 85 GLU CB C 82 29.853 29.514 0.339 1
1 1068 . 10 1 1 A 85 85 GLU N N 82 119.296 119.419 -0.123 1
1 1069 . 10 1 1 A 86 86 ALA H H 83 8.403 7.594 0.809 1
1 1070 . 10 1 1 A 86 86 ALA HA H 83 4.149 4.532 -0.383 1
1 1074 . 10 1 1 A 86 86 ALA C C 83 177.777 177.120 0.657 1
1 1075 . 10 1 1 A 86 86 ALA CA C 83 53.448 50.625 2.823 1
1 1076 . 10 1 1 A 86 86 ALA CB C 83 18.887 19.094 -0.207 1
1 1077 . 10 1 1 A 86 86 ALA N N 83 124.833 119.244 5.589 1
1 1078 . 10 1 1 A 87 87 SER H H 84 8.301 7.963 0.338 1
1 1079 . 10 1 1 A 87 87 SER HA H 84 4.297 3.961 0.336 1
1 1082 . 10 1 1 A 87 87 SER C C 84 175.370 174.952 0.418 1
1 1083 . 10 1 1 A 87 87 SER N N 84 113.395 111.090 2.305 1
1 1084 . 10 1 1 A 88 88 GLU H H 85 8.271 8.120 0.151 1
1 1085 . 10 1 1 A 88 88 GLU HA H 85 4.239 3.960 0.279 1
1 1090 . 10 1 1 A 88 88 GLU C C 85 177.081 178.923 -1.842 1
1 1091 . 10 1 1 A 88 88 GLU CA C 85 57.140 59.316 -2.176 1
1 1092 . 10 1 1 A 88 88 GLU CB C 85 29.856 29.301 0.555 1
1 1094 . 10 1 1 A 88 88 GLU N N 85 122.554 123.311 -0.757 1
1 1095 . 10 1 1 A 89 89 VAL H H 86 7.833 7.978 -0.145 1
1 1096 . 10 1 1 A 89 89 VAL HA H 86 3.895 4.067 -0.172 1
1 1104 . 10 1 1 A 89 89 VAL C C 86 177.172 177.462 -0.290 1
1 1105 . 10 1 1 A 89 89 VAL CA C 86 63.045 64.376 -1.331 1
1 1106 . 10 1 1 A 89 89 VAL CB C 86 32.107 31.582 0.525 1
1 1109 . 10 1 1 A 89 89 VAL N N 86 119.916 117.848 2.068 1
1 1110 . 10 1 1 A 90 90 TYR H H 87 8.142 7.749 0.393 1
1 1111 . 10 1 1 A 90 90 TYR HA H 87 4.479 4.332 0.147 1
1 1118 . 10 1 1 A 90 90 TYR C C 87 176.637 178.462 -1.825 1
1 1119 . 10 1 1 A 90 90 TYR CA C 87 58.545 60.566 -2.021 1
1 1120 . 10 1 1 A 90 90 TYR CB C 87 37.732 38.619 -0.887 1
1 1121 . 10 1 1 A 90 90 TYR N N 87 122.303 121.727 0.576 1
1 1122 . 10 1 1 A 91 91 SER H H 88 8.090 8.263 -0.173 1
1 1123 . 10 1 1 A 91 91 SER HA H 88 4.335 4.224 0.111 1
1 1126 . 10 1 1 A 91 91 SER C C 88 176.130 177.414 -1.284 1
1 1127 . 10 1 1 A 91 91 SER CA C 88 59.899 61.443 -1.544 1
1 1128 . 10 1 1 A 91 91 SER CB C 88 62.483 63.001 -0.518 1
1 1129 . 10 1 1 A 91 91 SER N N 88 115.828 116.255 -0.427 1
1 1130 . 10 1 1 A 92 92 GLU H H 89 8.234 7.779 0.455 1
1 1131 . 10 1 1 A 92 92 GLU HA H 89 4.213 4.016 0.197 1
1 1136 . 10 1 1 A 92 92 GLU C C 89 177.600 178.489 -0.889 1
1 1137 . 10 1 1 A 92 92 GLU CA C 89 57.701 58.968 -1.267 1
1 1138 . 10 1 1 A 92 92 GLU CB C 89 29.575 29.761 -0.186 1
1 1140 . 10 1 1 A 92 92 GLU N N 89 121.225 121.784 -0.559 1
1 1141 . 10 1 1 A 93 93 ALA H H 90 7.960 7.418 0.542 1
1 1142 . 10 1 1 A 93 93 ALA HA H 90 4.025 4.097 -0.072 1
1 1146 . 10 1 1 A 93 93 ALA C C 90 178.550 179.544 -0.994 1
1 1147 . 10 1 1 A 93 93 ALA CA C 90 54.225 55.047 -0.822 1
1 1148 . 10 1 1 A 93 93 ALA CB C 90 18.325 18.546 -0.221 1
1 1149 . 10 1 1 A 93 93 ALA N N 90 122.055 122.073 -0.018 1
1 1150 . 10 1 1 A 94 94 VAL H H 91 7.799 8.472 -0.673 1
1 1151 . 10 1 1 A 94 94 VAL HA H 91 3.818 3.787 0.031 1
1 1159 . 10 1 1 A 94 94 VAL CA C 91 64.167 65.458 -1.291 1
1 1160 . 10 1 1 A 94 94 VAL CB C 91 31.825 31.001 0.824 1
1 1163 . 10 1 1 A 94 94 VAL N N 91 115.727 117.285 -1.558 1
1 1164 . 10 1 1 A 95 95 LYS H H 92 7.764 7.858 -0.094 1
1 1165 . 10 1 1 A 95 95 LYS HA H 92 4.197 4.266 -0.069 1
1 1174 . 10 1 1 A 95 95 LYS C C 92 177.600 177.681 -0.081 1
1 1175 . 10 1 1 A 95 95 LYS CA C 92 57.139 58.676 -1.537 1
1 1176 . 10 1 1 A 95 95 LYS CB C 92 32.600 32.300 0.300 1
1 1180 . 10 1 1 A 95 95 LYS N N 92 120.823 122.026 -1.203 1
1 1181 . 10 1 1 A 96 96 ARG H H 93 7.970 7.996 -0.026 1
1 1182 . 10 1 1 A 96 96 ARG HA H 93 4.341 4.221 0.120 1
1 1189 . 10 1 1 A 96 96 ARG C C 93 179.703 178.742 0.961 1
1 1190 . 10 1 1 A 96 96 ARG CA C 93 56.295 58.455 -2.160 1
1 1191 . 10 1 1 A 96 96 ARG CB C 93 31.400 30.241 1.159 1
1 1194 . 10 1 1 A 96 96 ARG N N 93 119.070 120.051 -0.981 1
1 1195 . 10 1 1 A 97 97 ILE H H 94 8.012 7.688 0.324 1
1 1196 . 10 1 1 A 97 97 ILE HA H 94 4.216 4.012 0.204 1
1 1206 . 10 1 1 A 97 97 ILE C C 94 175.509 177.741 -2.232 1
1 1207 . 10 1 1 A 97 97 ILE CA C 94 61.362 64.287 -2.925 1
1 1208 . 10 1 1 A 97 97 ILE CB C 94 38.576 39.004 -0.428 1
1 1212 . 10 1 1 A 97 97 ILE N N 94 120.512 119.371 1.141 1
1 16 . 11 1 1 A 5 5 ALA H H 2 8.084 8.432 -0.348 1
1 17 . 11 1 1 A 5 5 ALA HA H 2 4.423 5.046 -0.623 1
1 21 . 11 1 1 A 5 5 ALA C C 2 176.536 177.508 -0.972 1
1 22 . 11 1 1 A 5 5 ALA CA C 2 51.634 50.860 0.774 1
1 23 . 11 1 1 A 5 5 ALA CB C 2 19.439 19.976 -0.537 1
1 24 . 11 1 1 A 5 5 ALA N N 2 125.284 126.051 -0.767 1
1 25 . 11 1 1 A 6 6 TYR H H 3 8.406 8.836 -0.430 1
1 26 . 11 1 1 A 6 6 TYR HA H 3 4.312 4.642 -0.330 1
1 33 . 11 1 1 A 6 6 TYR C C 3 175.433 175.639 -0.206 1
1 34 . 11 1 1 A 6 6 TYR CA C 3 57.701 57.944 -0.243 1
1 35 . 11 1 1 A 6 6 TYR CB C 3 39.701 40.036 -0.335 1
1 36 . 11 1 1 A 6 6 TYR N N 3 120.887 121.135 -0.248 1
1 37 . 11 1 1 A 7 7 PHE H H 4 8.703 9.313 -0.610 1
1 38 . 11 1 1 A 7 7 PHE HA H 4 4.645 4.914 -0.269 1
1 45 . 11 1 1 A 7 7 PHE C C 4 173.812 174.771 -0.959 1
1 46 . 11 1 1 A 7 7 PHE CA C 4 56.853 57.591 -0.738 1
1 47 . 11 1 1 A 7 7 PHE CB C 4 40.541 40.794 -0.253 1
1 48 . 11 1 1 A 7 7 PHE N N 4 119.295 120.313 -1.018 1
1 49 . 11 1 1 A 8 8 LEU H H 5 8.255 8.746 -0.491 1
1 50 . 11 1 1 A 8 8 LEU HA H 5 4.985 5.298 -0.313 1
1 60 . 11 1 1 A 8 8 LEU C C 5 174.927 174.350 0.577 1
1 61 . 11 1 1 A 8 8 LEU CA C 5 53.544 53.387 0.157 1
1 62 . 11 1 1 A 8 8 LEU CB C 5 44.201 46.185 -1.984 1
1 66 . 11 1 1 A 8 8 LEU N N 5 124.516 122.732 1.784 1
1 67 . 11 1 1 A 9 9 ASP H H 6 9.047 8.798 0.249 1
1 68 . 11 1 1 A 9 9 ASP HA H 6 5.089 5.439 -0.350 1
1 71 . 11 1 1 A 9 9 ASP C C 6 173.216 174.338 -1.122 1
1 72 . 11 1 1 A 9 9 ASP CA C 6 52.278 53.000 -0.722 1
1 73 . 11 1 1 A 9 9 ASP CB C 6 45.326 45.161 0.165 1
1 74 . 11 1 1 A 9 9 ASP N N 6 126.171 124.307 1.864 1
1 75 . 11 1 1 A 10 10 PHE H H 7 8.891 8.822 0.069 1
1 76 . 11 1 1 A 10 10 PHE HA H 7 4.545 4.656 -0.111 1
1 83 . 11 1 1 A 10 10 PHE C C 7 175.218 174.296 0.922 1
1 84 . 11 1 1 A 10 10 PHE CA C 7 56.243 56.301 -0.058 1
1 85 . 11 1 1 A 10 10 PHE CB C 7 43.638 42.167 1.471 1
1 86 . 11 1 1 A 10 10 PHE N N 7 119.178 120.435 -1.257 1
1 87 . 11 1 1 A 11 11 ASP H H 8 8.124 8.231 -0.107 1
1 88 . 11 1 1 A 11 11 ASP HA H 8 4.551 4.583 -0.032 1
1 91 . 11 1 1 A 11 11 ASP C C 8 177.157 177.363 -0.206 1
1 92 . 11 1 1 A 11 11 ASP CA C 8 54.315 54.270 0.045 1
1 93 . 11 1 1 A 11 11 ASP CB C 8 44.201 42.521 1.680 1
1 94 . 11 1 1 A 11 11 ASP N N 8 123.305 124.004 -0.699 1
1 95 . 11 1 1 A 12 12 GLU H H 9 9.197 9.014 0.183 1
1 96 . 11 1 1 A 12 12 GLU HA H 9 4.016 4.084 -0.068 1
1 101 . 11 1 1 A 12 12 GLU C C 9 178.880 178.542 0.338 1
1 102 . 11 1 1 A 12 12 GLU CA C 9 60.365 59.483 0.882 1
1 103 . 11 1 1 A 12 12 GLU CB C 9 29.670 29.198 0.472 1
1 105 . 11 1 1 A 12 12 GLU N N 9 127.082 123.244 3.838 1
1 106 . 11 1 1 A 13 13 ARG H H 10 8.949 8.461 0.488 1
1 107 . 11 1 1 A 13 13 ARG HA H 10 4.097 4.023 0.074 1
1 114 . 11 1 1 A 13 13 ARG C C 10 179.273 178.962 0.311 1
1 115 . 11 1 1 A 13 13 ARG CA C 10 58.924 59.230 -0.306 1
1 116 . 11 1 1 A 13 13 ARG CB C 10 30.138 30.073 0.065 1
1 119 . 11 1 1 A 13 13 ARG N N 10 119.265 119.749 -0.484 1
1 120 . 11 1 1 A 14 14 ALA H H 11 7.451 8.157 -0.706 1
1 121 . 11 1 1 A 14 14 ALA HA H 11 4.685 4.183 0.502 1
1 125 . 11 1 1 A 14 14 ALA C C 11 179.564 180.129 -0.565 1
1 126 . 11 1 1 A 14 14 ALA CA C 11 53.705 55.065 -1.360 1
1 127 . 11 1 1 A 14 14 ALA CB C 11 18.325 18.206 0.119 1
1 128 . 11 1 1 A 14 14 ALA N N 11 122.421 121.897 0.524 1
1 129 . 11 1 1 A 15 15 LEU H H 12 8.683 8.384 0.299 1
1 130 . 11 1 1 A 15 15 LEU HA H 12 3.877 3.863 0.014 1
1 140 . 11 1 1 A 15 15 LEU C C 12 178.550 179.389 -0.839 1
1 141 . 11 1 1 A 15 15 LEU CA C 12 57.139 57.596 -0.457 1
1 142 . 11 1 1 A 15 15 LEU CB C 12 41.103 41.161 -0.058 1
1 146 . 11 1 1 A 15 15 LEU N N 12 120.118 118.817 1.301 1
1 147 . 11 1 1 A 16 16 LYS H H 13 7.345 8.231 -0.886 1
1 148 . 11 1 1 A 16 16 LYS HA H 13 3.995 3.887 0.108 1
1 157 . 11 1 1 A 16 16 LYS C C 13 179.678 179.822 -0.144 1
1 158 . 11 1 1 A 16 16 LYS CA C 13 59.700 60.465 -0.765 1
1 159 . 11 1 1 A 16 16 LYS CB C 13 32.388 32.113 0.275 1
1 163 . 11 1 1 A 16 16 LYS N N 13 117.725 118.045 -0.320 1
1 164 . 11 1 1 A 17 17 GLU H H 14 7.453 8.072 -0.619 1
1 165 . 11 1 1 A 17 17 GLU HA H 14 4.016 4.106 -0.090 1
1 170 . 11 1 1 A 17 17 GLU C C 14 179.589 179.052 0.537 1
1 171 . 11 1 1 A 17 17 GLU CA C 14 58.841 59.164 -0.323 1
1 172 . 11 1 1 A 17 17 GLU CB C 14 29.298 29.363 -0.065 1
1 174 . 11 1 1 A 17 17 GLU N N 14 118.019 119.625 -1.606 1
1 175 . 11 1 1 A 18 18 TRP H H 15 9.081 8.536 0.545 1
1 176 . 11 1 1 A 18 18 TRP HA H 15 4.174 4.217 -0.043 1
1 183 . 11 1 1 A 18 18 TRP C C 15 178.360 178.614 -0.254 1
1 184 . 11 1 1 A 18 18 TRP CA C 15 59.938 61.034 -1.096 1
1 185 . 11 1 1 A 18 18 TRP CB C 15 30.241 29.584 0.657 1
1 186 . 11 1 1 A 18 18 TRP N N 15 122.628 122.153 0.475 1
1 188 . 11 1 1 A 19 19 ARG H H 16 8.197 8.396 -0.199 1
1 189 . 11 1 1 A 19 19 ARG HA H 16 3.863 4.144 -0.281 1
1 196 . 11 1 1 A 19 19 ARG C C 16 177.030 179.152 -2.122 1
1 197 . 11 1 1 A 19 19 ARG CA C 16 58.516 58.944 -0.428 1
1 198 . 11 1 1 A 19 19 ARG CB C 16 30.300 29.673 0.627 1
1 201 . 11 1 1 A 19 19 ARG N N 16 115.582 118.265 -2.683 1
1 202 . 11 1 1 A 20 20 LYS H H 17 7.308 7.588 -0.280 1
1 203 . 11 1 1 A 20 20 LYS HA H 17 4.238 4.098 0.140 1
1 212 . 11 1 1 A 20 20 LYS C C 17 177.043 177.137 -0.094 1
1 213 . 11 1 1 A 20 20 LYS CA C 17 56.270 58.850 -2.580 1
1 214 . 11 1 1 A 20 20 LYS CB C 17 32.300 32.056 0.244 1
1 218 . 11 1 1 A 20 20 LYS N N 17 116.689 119.814 -3.125 1
1 219 . 11 1 1 A 21 21 LEU H H 18 6.998 7.620 -0.622 1
1 220 . 11 1 1 A 21 21 LEU HA H 18 4.026 4.103 -0.077 1
1 230 . 11 1 1 A 21 21 LEU C C 18 177.676 177.417 0.259 1
1 231 . 11 1 1 A 21 21 LEU CA C 18 54.567 55.197 -0.630 1
1 232 . 11 1 1 A 21 21 LEU CB C 18 43.357 42.020 1.337 1
1 236 . 11 1 1 A 21 21 LEU N N 18 118.778 121.248 -2.470 1
1 237 . 11 1 1 A 22 22 GLY H H 19 8.370 8.326 0.044 1
1 238 . 11 1 1 A 22 22 GLY HA2 H 19 4.064 3.949 0.115 1
1 239 . 11 1 1 A 22 22 GLY HA3 H 19 3.845 3.970 -0.125 1
1 240 . 11 1 1 A 22 22 GLY C C 19 174.813 174.740 0.073 1
1 241 . 11 1 1 A 22 22 GLY CA C 19 45.045 44.880 0.165 1
1 242 . 11 1 1 A 22 22 GLY N N 19 107.490 109.656 -2.166 1
1 243 . 11 1 1 A 23 23 SER H H 20 8.675 8.884 -0.209 1
1 244 . 11 1 1 A 23 23 SER HA H 20 4.288 4.038 0.250 1
1 247 . 11 1 1 A 23 23 SER CA C 20 58.981 61.763 -2.782 1
1 248 . 11 1 1 A 23 23 SER CB C 20 63.045 62.281 0.764 1
1 249 . 11 1 1 A 23 23 SER N N 20 117.877 116.228 1.649 1
1 250 . 11 1 1 A 24 24 THR H H 21 8.216 7.996 0.220 1
1 251 . 11 1 1 A 24 24 THR HA H 21 3.983 3.938 0.045 1
1 256 . 11 1 1 A 24 24 THR C C 21 176.510 176.787 -0.277 1
1 257 . 11 1 1 A 24 24 THR CA C 21 65.858 66.784 -0.926 1
1 258 . 11 1 1 A 24 24 THR CB C 21 67.941 68.462 -0.521 1
1 260 . 11 1 1 A 24 24 THR N N 21 115.680 116.337 -0.657 1
1 261 . 11 1 1 A 25 25 VAL H H 22 7.143 7.888 -0.745 1
1 262 . 11 1 1 A 25 25 VAL HA H 22 3.545 3.355 0.190 1
1 270 . 11 1 1 A 25 25 VAL C C 22 177.613 177.611 0.002 1
1 271 . 11 1 1 A 25 25 VAL CA C 22 65.577 66.642 -1.065 1
1 272 . 11 1 1 A 25 25 VAL CB C 22 31.544 31.182 0.362 1
1 275 . 11 1 1 A 25 25 VAL N N 22 122.443 121.548 0.895 1
1 276 . 11 1 1 A 26 26 ARG H H 23 7.840 8.010 -0.170 1
1 277 . 11 1 1 A 26 26 ARG HA H 23 3.156 3.512 -0.356 1
1 284 . 11 1 1 A 26 26 ARG C C 23 177.790 178.318 -0.528 1
1 285 . 11 1 1 A 26 26 ARG CA C 23 59.951 58.376 1.575 1
1 286 . 11 1 1 A 26 26 ARG CB C 23 29.590 28.898 0.692 1
1 289 . 11 1 1 A 26 26 ARG N N 23 119.146 119.739 -0.593 1
1 290 . 11 1 1 A 27 27 GLU H H 24 8.159 8.615 -0.456 1
1 291 . 11 1 1 A 27 27 GLU HA H 24 3.970 4.100 -0.130 1
1 296 . 11 1 1 A 27 27 GLU C C 24 179.577 179.523 0.054 1
1 297 . 11 1 1 A 27 27 GLU CA C 24 59.400 59.097 0.303 1
1 298 . 11 1 1 A 27 27 GLU CB C 24 29.013 29.395 -0.382 1
1 300 . 11 1 1 A 27 27 GLU N N 24 116.672 118.715 -2.043 1
1 301 . 11 1 1 A 28 28 GLN H H 25 7.693 7.584 0.109 1
1 302 . 11 1 1 A 28 28 GLN HA H 25 4.094 4.072 0.022 1
1 309 . 11 1 1 A 28 28 GLN C C 25 179.919 179.243 0.676 1
1 310 . 11 1 1 A 28 28 GLN CA C 25 59.108 58.686 0.422 1
1 311 . 11 1 1 A 28 28 GLN CB C 25 29.575 28.181 1.394 1
1 313 . 11 1 1 A 28 28 GLN N N 25 118.482 118.479 0.003 1
1 315 . 11 1 1 A 29 29 LEU H H 26 8.441 8.274 0.167 1
1 316 . 11 1 1 A 29 29 LEU HA H 26 4.096 4.091 0.005 1
1 326 . 11 1 1 A 29 29 LEU C C 26 178.804 179.177 -0.373 1
1 327 . 11 1 1 A 29 29 LEU CA C 26 57.983 58.065 -0.082 1
1 328 . 11 1 1 A 29 29 LEU CB C 26 42.513 41.371 1.142 1
1 332 . 11 1 1 A 29 29 LEU N N 26 119.907 120.758 -0.851 1
1 333 . 11 1 1 A 30 30 LYS H H 27 9.233 8.828 0.405 1
1 334 . 11 1 1 A 30 30 LYS HA H 27 4.076 4.182 -0.106 1
1 343 . 11 1 1 A 30 30 LYS C C 27 178.056 178.516 -0.460 1
1 344 . 11 1 1 A 30 30 LYS CA C 27 60.233 59.849 0.384 1
1 345 . 11 1 1 A 30 30 LYS CB C 27 32.103 32.488 -0.385 1
1 349 . 11 1 1 A 30 30 LYS N N 27 120.508 120.265 0.243 1
1 350 . 11 1 1 A 31 31 LYS H H 28 7.698 7.607 0.091 1
1 351 . 11 1 1 A 31 31 LYS HA H 28 4.056 4.095 -0.039 1
1 360 . 11 1 1 A 31 31 LYS C C 28 179.539 179.925 -0.386 1
1 361 . 11 1 1 A 31 31 LYS CA C 28 59.596 59.952 -0.356 1
1 362 . 11 1 1 A 31 31 LYS CB C 28 32.400 32.214 0.186 1
1 366 . 11 1 1 A 31 31 LYS N N 28 117.412 118.120 -0.708 1
1 367 . 11 1 1 A 32 32 LYS H H 29 7.347 7.587 -0.240 1
1 368 . 11 1 1 A 32 32 LYS HA H 29 4.230 4.098 0.132 1
1 377 . 11 1 1 A 32 32 LYS C C 29 179.057 179.146 -0.089 1
1 378 . 11 1 1 A 32 32 LYS CA C 29 57.553 59.285 -1.732 1
1 379 . 11 1 1 A 32 32 LYS CB C 29 32.103 32.530 -0.427 1
1 383 . 11 1 1 A 32 32 LYS N N 29 116.983 119.811 -2.828 1
1 384 . 11 1 1 A 33 33 LEU H H 30 8.663 8.249 0.414 1
1 385 . 11 1 1 A 33 33 LEU HA H 30 3.844 3.972 -0.128 1
1 395 . 11 1 1 A 33 33 LEU C C 30 177.765 179.236 -1.471 1
1 396 . 11 1 1 A 33 33 LEU CA C 30 57.420 58.046 -0.626 1
1 397 . 11 1 1 A 33 33 LEU CB C 30 42.513 42.002 0.511 1
1 401 . 11 1 1 A 33 33 LEU N N 30 121.134 120.450 0.684 1
1 402 . 11 1 1 A 34 34 VAL H H 31 8.185 8.349 -0.164 1
1 403 . 11 1 1 A 34 34 VAL HA H 31 3.548 3.746 -0.198 1
1 411 . 11 1 1 A 34 34 VAL C C 31 178.639 177.479 1.160 1
1 412 . 11 1 1 A 34 34 VAL CA C 31 66.702 65.226 1.476 1
1 413 . 11 1 1 A 34 34 VAL CB C 31 31.544 31.385 0.159 1
1 416 . 11 1 1 A 34 34 VAL N N 31 117.076 119.522 -2.446 1
1 417 . 11 1 1 A 35 35 GLU H H 32 7.143 8.382 -1.239 1
1 418 . 11 1 1 A 35 35 GLU HA H 32 4.093 4.060 0.033 1
1 423 . 11 1 1 A 35 35 GLU C C 32 179.450 178.786 0.664 1
1 424 . 11 1 1 A 35 35 GLU CA C 32 58.264 59.075 -0.811 1
1 425 . 11 1 1 A 35 35 GLU CB C 32 29.575 29.159 0.416 1
1 427 . 11 1 1 A 35 35 GLU N N 32 117.290 119.766 -2.476 1
1 428 . 11 1 1 A 36 36 VAL H H 33 7.659 8.241 -0.582 1
1 429 . 11 1 1 A 36 36 VAL HA H 33 3.774 3.793 -0.019 1
1 437 . 11 1 1 A 36 36 VAL C C 33 176.929 177.717 -0.788 1
1 438 . 11 1 1 A 36 36 VAL CA C 33 63.889 65.240 -1.351 1
1 439 . 11 1 1 A 36 36 VAL CB C 33 31.825 31.098 0.727 1
1 442 . 11 1 1 A 36 36 VAL N N 33 118.056 119.913 -1.857 1
1 443 . 11 1 1 A 37 37 LEU H H 34 7.679 7.820 -0.141 1
1 444 . 11 1 1 A 37 37 LEU HA H 34 3.619 3.840 -0.221 1
1 454 . 11 1 1 A 37 37 LEU C C 34 177.968 179.482 -1.514 1
1 455 . 11 1 1 A 37 37 LEU CA C 34 57.420 57.156 0.264 1
1 456 . 11 1 1 A 37 37 LEU CB C 34 40.263 41.320 -1.057 1
1 460 . 11 1 1 A 37 37 LEU N N 34 116.847 121.456 -4.609 1
1 461 . 11 1 1 A 38 38 GLU H H 35 7.238 8.719 -1.481 1
1 462 . 11 1 1 A 38 38 GLU HA H 35 4.295 4.190 0.105 1
1 467 . 11 1 1 A 38 38 GLU C C 35 177.853 176.645 1.208 1
1 468 . 11 1 1 A 38 38 GLU CA C 35 57.900 58.523 -0.623 1
1 469 . 11 1 1 A 38 38 GLU CB C 35 30.138 28.645 1.493 1
1 471 . 11 1 1 A 38 38 GLU N N 35 113.881 117.423 -3.542 1
1 472 . 11 1 1 A 39 39 SER H H 36 7.101 7.880 -0.779 1
1 473 . 11 1 1 A 39 39 SER HA H 36 4.518 4.714 -0.196 1
1 476 . 11 1 1 A 39 39 SER CA C 36 55.553 56.167 -0.614 1
1 477 . 11 1 1 A 39 39 SER CB C 36 61.920 63.380 -1.460 1
1 478 . 11 1 1 A 39 39 SER N N 36 109.128 116.024 -6.896 1
1 479 . 11 1 1 A 40 40 PRO HA H 37 4.363 4.304 0.059 1
1 486 . 11 1 1 A 40 40 PRO C C 37 177.879 177.066 0.813 1
1 487 . 11 1 1 A 40 40 PRO CA C 37 64.705 63.700 1.005 1
1 488 . 11 1 1 A 40 40 PRO CB C 37 32.669 31.832 0.837 1
1 491 . 11 1 1 A 41 41 ARG H H 38 8.299 8.223 0.076 1
1 492 . 11 1 1 A 41 41 ARG HA H 38 3.183 3.663 -0.480 1
1 499 . 11 1 1 A 41 41 ARG C C 38 174.217 175.611 -1.394 1
1 500 . 11 1 1 A 41 41 ARG CA C 38 56.014 55.886 0.128 1
1 501 . 11 1 1 A 41 41 ARG CB C 38 29.571 29.649 -0.078 1
1 504 . 11 1 1 A 41 41 ARG N N 38 121.121 115.306 5.815 1
1 505 . 11 1 1 A 42 42 ILE H H 39 5.995 7.098 -1.103 1
1 506 . 11 1 1 A 42 42 ILE HA H 39 4.177 4.273 -0.096 1
1 516 . 11 1 1 A 42 42 ILE C C 39 176.295 177.345 -1.050 1
1 517 . 11 1 1 A 42 42 ILE CA C 39 59.389 61.297 -1.908 1
1 518 . 11 1 1 A 42 42 ILE CB C 39 39.138 36.628 2.510 1
1 522 . 11 1 1 A 42 42 ILE N N 39 128.247 122.147 6.100 1
1 523 . 11 1 1 A 43 43 GLU H H 40 8.893 8.923 -0.030 1
1 524 . 11 1 1 A 43 43 GLU HA H 40 4.174 4.268 -0.094 1
1 529 . 11 1 1 A 43 43 GLU C C 40 178.918 178.296 0.622 1
1 530 . 11 1 1 A 43 43 GLU CA C 40 60.336 58.914 1.422 1
1 531 . 11 1 1 A 43 43 GLU CB C 40 29.100 29.060 0.040 1
1 533 . 11 1 1 A 43 43 GLU N N 40 130.055 127.632 2.423 1
1 534 . 11 1 1 A 44 44 ALA H H 41 8.851 7.763 1.088 1
1 535 . 11 1 1 A 44 44 ALA HA H 41 4.222 4.196 0.026 1
1 539 . 11 1 1 A 44 44 ALA C C 41 178.069 178.011 0.058 1
1 540 . 11 1 1 A 44 44 ALA CA C 41 54.148 53.959 0.189 1
1 541 . 11 1 1 A 44 44 ALA CB C 41 18.606 18.379 0.227 1
1 542 . 11 1 1 A 44 44 ALA N N 41 119.773 122.375 -2.602 1
1 543 . 11 1 1 A 45 45 ASN H H 42 8.176 8.289 -0.113 1
1 544 . 11 1 1 A 45 45 ASN HA H 42 5.046 4.888 0.158 1
1 549 . 11 1 1 A 45 45 ASN C C 42 174.521 174.844 -0.323 1
1 550 . 11 1 1 A 45 45 ASN CA C 42 51.495 53.146 -1.651 1
1 551 . 11 1 1 A 45 45 ASN CB C 42 38.853 39.880 -1.027 1
1 552 . 11 1 1 A 45 45 ASN N N 42 114.425 114.944 -0.519 1
1 554 . 11 1 1 A 46 46 LYS H H 43 7.524 7.575 -0.051 1
1 555 . 11 1 1 A 46 46 LYS HA H 43 3.769 4.170 -0.401 1
1 564 . 11 1 1 A 46 46 LYS C C 43 176.143 176.269 -0.126 1
1 565 . 11 1 1 A 46 46 LYS CA C 43 56.858 55.712 1.146 1
1 566 . 11 1 1 A 46 46 LYS CB C 43 33.232 32.990 0.242 1
1 570 . 11 1 1 A 46 46 LYS N N 43 122.393 122.116 0.277 1
1 571 . 11 1 1 A 47 47 LEU H H 44 7.982 8.558 -0.576 1
1 572 . 11 1 1 A 47 47 LEU HA H 44 4.374 4.466 -0.092 1
1 582 . 11 1 1 A 47 47 LEU C C 44 176.143 177.211 -1.068 1
1 583 . 11 1 1 A 47 47 LEU CA C 44 53.746 53.833 -0.087 1
1 584 . 11 1 1 A 47 47 LEU CB C 44 41.951 42.540 -0.589 1
1 588 . 11 1 1 A 47 47 LEU N N 44 127.624 125.728 1.896 1
1 589 . 11 1 1 A 48 48 ARG H H 45 8.549 8.468 0.081 1
1 590 . 11 1 1 A 48 48 ARG HA H 45 4.346 4.509 -0.163 1
1 597 . 11 1 1 A 48 48 ARG CA C 45 55.800 55.496 0.304 1
1 598 . 11 1 1 A 48 48 ARG CB C 45 31.263 31.221 0.042 1
1 601 . 11 1 1 A 48 48 ARG N N 45 125.873 121.533 4.340 1
1 602 . 11 1 1 A 49 49 GLY H H 46 8.800 8.691 0.109 1
1 603 . 11 1 1 A 49 49 GLY HA2 H 46 3.760 3.884 -0.124 1
1 604 . 11 1 1 A 49 49 GLY HA3 H 46 4.070 3.888 0.182 1
1 605 . 11 1 1 A 49 49 GLY C C 46 173.482 173.663 -0.181 1
1 606 . 11 1 1 A 49 49 GLY CA C 46 45.326 45.494 -0.168 1
1 607 . 11 1 1 A 49 49 GLY N N 46 111.980 111.388 0.592 1
1 608 . 11 1 1 A 50 50 MET H H 47 7.272 7.871 -0.599 1
1 609 . 11 1 1 A 50 50 MET HA H 47 4.921 4.809 0.112 1
1 617 . 11 1 1 A 50 50 MET CA C 47 52.049 52.816 -0.767 1
1 618 . 11 1 1 A 50 50 MET CB C 47 33.794 34.764 -0.970 1
1 621 . 11 1 1 A 50 50 MET N N 47 119.077 120.899 -1.822 1
1 622 . 11 1 1 A 51 51 PRO HA H 48 4.294 4.345 -0.051 1
1 629 . 11 1 1 A 51 51 PRO C C 48 176.460 176.867 -0.407 1
1 630 . 11 1 1 A 51 51 PRO CA C 48 63.879 63.586 0.293 1
1 631 . 11 1 1 A 51 51 PRO CB C 48 31.825 31.283 0.542 1
1 634 . 11 1 1 A 52 52 ASP H H 49 8.661 8.786 -0.125 1
1 635 . 11 1 1 A 52 52 ASP HA H 49 4.487 4.076 0.411 1
1 638 . 11 1 1 A 52 52 ASP C C 49 174.065 175.022 -0.957 1
1 639 . 11 1 1 A 52 52 ASP CA C 49 56.042 55.218 0.824 1
1 640 . 11 1 1 A 52 52 ASP CB C 49 41.107 39.651 1.456 1
1 641 . 11 1 1 A 52 52 ASP N N 49 116.477 116.778 -0.301 1
1 642 . 11 1 1 A 53 53 CYS H H 50 7.575 7.348 0.227 1
1 643 . 11 1 1 A 53 53 CYS HA H 50 5.835 5.233 0.602 1
1 646 . 11 1 1 A 53 53 CYS C C 50 173.444 173.333 0.111 1
1 647 . 11 1 1 A 53 53 CYS CA C 50 58.110 57.873 0.237 1
1 648 . 11 1 1 A 53 53 CYS CB C 50 30.700 29.525 1.175 1
1 649 . 11 1 1 A 53 53 CYS N N 50 114.414 117.196 -2.782 1
1 650 . 11 1 1 A 54 54 TYR H H 51 8.806 9.442 -0.636 1
1 651 . 11 1 1 A 54 54 TYR HA H 51 4.737 5.339 -0.602 1
1 658 . 11 1 1 A 54 54 TYR C C 51 172.950 174.185 -1.235 1
1 659 . 11 1 1 A 54 54 TYR CA C 51 56.066 56.273 -0.207 1
1 660 . 11 1 1 A 54 54 TYR CB C 51 42.794 43.330 -0.536 1
1 661 . 11 1 1 A 54 54 TYR N N 51 120.858 120.949 -0.091 1
1 662 . 11 1 1 A 55 55 LYS H H 52 8.425 8.920 -0.495 1
1 663 . 11 1 1 A 55 55 LYS HA H 52 5.687 5.312 0.375 1
1 672 . 11 1 1 A 55 55 LYS C C 52 176.498 174.765 1.733 1
1 673 . 11 1 1 A 55 55 LYS CA C 52 53.291 54.399 -1.108 1
1 674 . 11 1 1 A 55 55 LYS CB C 52 36.325 36.206 0.119 1
1 678 . 11 1 1 A 55 55 LYS N N 52 115.794 118.086 -2.292 1
1 679 . 11 1 1 A 56 56 ILE H H 53 9.187 9.074 0.113 1
1 680 . 11 1 1 A 56 56 ILE HA H 53 4.416 4.961 -0.545 1
1 690 . 11 1 1 A 56 56 ILE C C 53 174.572 174.889 -0.317 1
1 691 . 11 1 1 A 56 56 ILE CA C 53 60.971 59.784 1.187 1
1 692 . 11 1 1 A 56 56 ILE CB C 53 41.388 40.861 0.527 1
1 696 . 11 1 1 A 56 56 ILE N N 53 120.315 123.535 -3.220 1
1 697 . 11 1 1 A 57 57 LYS H H 54 8.755 9.040 -0.285 1
1 698 . 11 1 1 A 57 57 LYS HA H 54 5.043 5.146 -0.103 1
1 707 . 11 1 1 A 57 57 LYS C C 54 175.193 174.561 0.632 1
1 708 . 11 1 1 A 57 57 LYS CA C 54 54.359 54.326 0.033 1
1 709 . 11 1 1 A 57 57 LYS CB C 54 35.482 35.457 0.025 1
1 713 . 11 1 1 A 57 57 LYS N N 54 125.616 125.929 -0.313 1
1 714 . 11 1 1 A 58 58 LEU H H 55 8.449 9.245 -0.796 1
1 715 . 11 1 1 A 58 58 LEU HA H 55 4.796 4.710 0.086 1
1 725 . 11 1 1 A 58 58 LEU CA C 55 53.201 54.226 -1.025 1
1 726 . 11 1 1 A 58 58 LEU CB C 55 41.669 42.794 -1.125 1
1 730 . 11 1 1 A 58 58 LEU N N 55 124.214 125.152 -0.938 1
1 731 . 11 1 1 A 59 59 ARG HA H 56 4.008 4.049 -0.041 1
1 738 . 11 1 1 A 59 59 ARG CA C 56 57.420 59.695 -2.275 1
1 739 . 11 1 1 A 59 59 ARG CB C 56 29.575 29.913 -0.338 1
1 742 . 11 1 1 A 60 60 SER HA H 57 4.246 4.183 0.063 1
1 745 . 11 1 1 A 60 60 SER CA C 57 59.798 61.824 -2.026 1
1 746 . 11 1 1 A 60 60 SER CB C 57 63.045 63.083 -0.038 1
1 747 . 11 1 1 A 61 61 SER HA H 58 4.616 4.716 -0.100 1
1 750 . 11 1 1 A 61 61 SER C C 58 175.155 175.209 -0.054 1
1 751 . 11 1 1 A 61 61 SER CA C 58 58.010 58.705 -0.695 1
1 752 . 11 1 1 A 61 61 SER CB C 58 64.452 65.761 -1.309 1
1 753 . 11 1 1 A 62 62 GLY H H 59 8.217 8.439 -0.222 1
1 754 . 11 1 1 A 62 62 GLY HA2 H 59 3.926 3.887 0.039 1
1 755 . 11 1 1 A 62 62 GLY HA3 H 59 4.010 3.903 0.107 1
1 756 . 11 1 1 A 62 62 GLY C C 59 174.407 174.523 -0.116 1
1 757 . 11 1 1 A 62 62 GLY CA C 59 45.888 45.927 -0.039 1
1 758 . 11 1 1 A 62 62 GLY N N 59 109.272 110.535 -1.263 1
1 759 . 11 1 1 A 63 63 TYR H H 60 7.463 7.984 -0.521 1
1 760 . 11 1 1 A 63 63 TYR HA H 60 4.629 4.555 0.074 1
1 767 . 11 1 1 A 63 63 TYR C C 60 175.117 175.018 0.099 1
1 768 . 11 1 1 A 63 63 TYR CA C 60 59.857 57.985 1.872 1
1 769 . 11 1 1 A 63 63 TYR CB C 60 41.388 39.921 1.467 1
1 770 . 11 1 1 A 63 63 TYR N N 60 117.638 119.124 -1.486 1
1 771 . 11 1 1 A 64 64 ARG H H 61 9.261 9.102 0.159 1
1 772 . 11 1 1 A 64 64 ARG HA H 61 5.458 5.358 0.100 1
1 779 . 11 1 1 A 64 64 ARG C C 61 173.596 174.795 -1.199 1
1 780 . 11 1 1 A 64 64 ARG CA C 61 53.880 54.618 -0.738 1
1 781 . 11 1 1 A 64 64 ARG CB C 61 34.357 33.468 0.889 1
1 784 . 11 1 1 A 64 64 ARG N N 61 119.605 121.079 -1.474 1
1 785 . 11 1 1 A 65 65 LEU H H 62 9.085 9.251 -0.166 1
1 786 . 11 1 1 A 65 65 LEU HA H 62 5.432 5.228 0.204 1
1 796 . 11 1 1 A 65 65 LEU C C 62 174.534 174.430 0.104 1
1 797 . 11 1 1 A 65 65 LEU CA C 62 53.795 54.047 -0.252 1
1 798 . 11 1 1 A 65 65 LEU CB C 62 46.732 46.222 0.510 1
1 802 . 11 1 1 A 65 65 LEU N N 62 125.189 124.780 0.409 1
1 803 . 11 1 1 A 66 66 VAL H H 63 9.058 9.233 -0.175 1
1 804 . 11 1 1 A 66 66 VAL HA H 63 4.991 5.029 -0.038 1
1 812 . 11 1 1 A 66 66 VAL C C 63 174.699 175.162 -0.463 1
1 813 . 11 1 1 A 66 66 VAL CA C 63 60.795 60.770 0.025 1
1 814 . 11 1 1 A 66 66 VAL CB C 63 34.075 33.243 0.832 1
1 817 . 11 1 1 A 66 66 VAL N N 63 125.140 126.150 -1.010 1
1 818 . 11 1 1 A 67 67 TYR H H 64 9.091 8.880 0.211 1
1 819 . 11 1 1 A 67 67 TYR HA H 64 5.659 5.545 0.114 1
1 826 . 11 1 1 A 67 67 TYR C C 64 170.910 173.087 -2.177 1
1 827 . 11 1 1 A 67 67 TYR CA C 64 54.286 55.156 -0.870 1
1 828 . 11 1 1 A 67 67 TYR CB C 64 41.951 42.057 -0.106 1
1 829 . 11 1 1 A 67 67 TYR N N 64 124.150 124.080 0.070 1
1 830 . 11 1 1 A 68 68 GLN H H 65 9.814 9.474 0.340 1
1 831 . 11 1 1 A 68 68 GLN HA H 65 5.510 5.816 -0.306 1
1 838 . 11 1 1 A 68 68 GLN C C 65 175.725 174.661 1.064 1
1 839 . 11 1 1 A 68 68 GLN CA C 65 53.092 54.461 -1.369 1
1 840 . 11 1 1 A 68 68 GLN CB C 65 32.600 31.425 1.175 1
1 842 . 11 1 1 A 68 68 GLN N N 65 123.050 119.096 3.954 1
1 844 . 11 1 1 A 69 69 VAL H H 66 9.198 9.544 -0.346 1
1 845 . 11 1 1 A 69 69 VAL HA H 66 4.369 4.582 -0.213 1
1 853 . 11 1 1 A 69 69 VAL C C 66 175.357 175.150 0.207 1
1 854 . 11 1 1 A 69 69 VAL CA C 66 63.045 62.050 0.995 1
1 855 . 11 1 1 A 69 69 VAL CB C 66 32.669 32.539 0.130 1
1 858 . 11 1 1 A 69 69 VAL N N 66 127.343 124.608 2.735 1
1 859 . 11 1 1 A 70 70 ILE H H 67 9.241 9.429 -0.188 1
1 860 . 11 1 1 A 70 70 ILE HA H 67 4.471 4.473 -0.002 1
1 870 . 11 1 1 A 70 70 ILE C C 67 177.081 176.180 0.901 1
1 871 . 11 1 1 A 70 70 ILE CA C 67 59.716 60.856 -1.140 1
1 872 . 11 1 1 A 70 70 ILE CB C 67 37.169 37.019 0.150 1
1 876 . 11 1 1 A 70 70 ILE N N 67 129.254 127.703 1.551 1
1 877 . 11 1 1 A 71 71 ASP H H 68 9.374 8.883 0.491 1
1 878 . 11 1 1 A 71 71 ASP HA H 68 4.574 4.534 0.040 1
1 881 . 11 1 1 A 71 71 ASP C C 68 179.868 178.048 1.820 1
1 882 . 11 1 1 A 71 71 ASP CA C 68 58.797 56.902 1.895 1
1 883 . 11 1 1 A 71 71 ASP CB C 68 40.544 40.838 -0.294 1
1 884 . 11 1 1 A 71 71 ASP N N 68 129.133 128.931 0.202 1
1 885 . 11 1 1 A 72 72 GLU H H 69 9.631 8.309 1.322 1
1 886 . 11 1 1 A 72 72 GLU HA H 69 4.088 4.139 -0.051 1
1 891 . 11 1 1 A 72 72 GLU C C 69 176.865 177.805 -0.940 1
1 892 . 11 1 1 A 72 72 GLU CA C 69 59.670 59.256 0.414 1
1 893 . 11 1 1 A 72 72 GLU CB C 69 29.100 29.718 -0.618 1
1 895 . 11 1 1 A 72 72 GLU N N 69 118.880 118.451 0.429 1
1 896 . 11 1 1 A 73 73 LYS H H 70 6.582 7.727 -1.145 1
1 897 . 11 1 1 A 73 73 LYS HA H 70 4.474 4.399 0.075 1
1 906 . 11 1 1 A 73 73 LYS C C 70 173.964 175.514 -1.550 1
1 907 . 11 1 1 A 73 73 LYS CA C 70 54.604 55.683 -1.079 1
1 908 . 11 1 1 A 73 73 LYS CB C 70 34.075 33.143 0.932 1
1 912 . 11 1 1 A 73 73 LYS N N 70 114.014 117.076 -3.062 1
1 913 . 11 1 1 A 74 74 VAL H H 71 7.791 7.691 0.100 1
1 914 . 11 1 1 A 74 74 VAL HA H 71 2.948 3.571 -0.623 1
1 922 . 11 1 1 A 74 74 VAL C C 71 173.381 174.240 -0.859 1
1 923 . 11 1 1 A 74 74 VAL CA C 71 63.045 63.700 -0.655 1
1 924 . 11 1 1 A 74 74 VAL CB C 71 29.013 29.563 -0.550 1
1 927 . 11 1 1 A 74 74 VAL N N 71 119.301 116.037 3.264 1
1 928 . 11 1 1 A 75 75 VAL H H 72 7.736 7.877 -0.141 1
1 929 . 11 1 1 A 75 75 VAL HA H 72 5.159 5.077 0.082 1
1 937 . 11 1 1 A 75 75 VAL C C 72 175.028 174.125 0.903 1
1 938 . 11 1 1 A 75 75 VAL CA C 72 59.839 60.206 -0.367 1
1 939 . 11 1 1 A 75 75 VAL CB C 72 37.732 35.570 2.162 1
1 942 . 11 1 1 A 75 75 VAL N N 72 116.865 120.098 -3.233 1
1 943 . 11 1 1 A 76 76 VAL H H 73 9.006 9.289 -0.283 1
1 944 . 11 1 1 A 76 76 VAL HA H 73 4.190 4.706 -0.516 1
1 952 . 11 1 1 A 76 76 VAL C C 73 172.177 174.562 -2.385 1
1 953 . 11 1 1 A 76 76 VAL CA C 73 62.473 61.142 1.331 1
1 954 . 11 1 1 A 76 76 VAL CB C 73 32.388 32.559 -0.171 1
1 957 . 11 1 1 A 76 76 VAL N N 73 128.675 128.371 0.304 1
1 958 . 11 1 1 A 77 77 PHE H H 74 9.468 9.504 -0.036 1
1 959 . 11 1 1 A 77 77 PHE HA H 74 5.019 5.244 -0.225 1
1 966 . 11 1 1 A 77 77 PHE C C 74 174.420 174.083 0.337 1
1 967 . 11 1 1 A 77 77 PHE CA C 74 54.378 55.792 -1.414 1
1 968 . 11 1 1 A 77 77 PHE CB C 74 42.230 40.756 1.474 1
1 969 . 11 1 1 A 77 77 PHE N N 74 130.014 128.522 1.492 1
1 970 . 11 1 1 A 78 78 VAL H H 75 8.990 8.948 0.042 1
1 971 . 11 1 1 A 78 78 VAL HA H 75 3.645 3.990 -0.345 1
1 979 . 11 1 1 A 78 78 VAL C C 75 174.813 175.419 -0.606 1
1 980 . 11 1 1 A 78 78 VAL CA C 75 64.452 63.561 0.891 1
1 981 . 11 1 1 A 78 78 VAL CB C 75 31.009 31.122 -0.113 1
1 984 . 11 1 1 A 78 78 VAL N N 75 128.474 127.323 1.151 1
1 985 . 11 1 1 A 79 79 ILE H H 76 8.679 9.202 -0.523 1
1 986 . 11 1 1 A 79 79 ILE HA H 76 4.171 4.160 0.011 1
1 996 . 11 1 1 A 79 79 ILE C C 76 176.092 175.889 0.203 1
1 997 . 11 1 1 A 79 79 ILE CA C 76 61.635 62.463 -0.828 1
1 998 . 11 1 1 A 79 79 ILE CB C 76 39.982 38.488 1.494 1
1 1002 . 11 1 1 A 79 79 ILE N N 76 122.334 128.855 -6.521 1
1 1003 . 11 1 1 A 80 80 SER H H 77 7.614 7.808 -0.194 1
1 1004 . 11 1 1 A 80 80 SER HA H 77 4.724 4.975 -0.251 1
1 1007 . 11 1 1 A 80 80 SER C C 77 172.545 172.229 0.316 1
1 1008 . 11 1 1 A 80 80 SER CA C 77 57.849 57.720 0.129 1
1 1009 . 11 1 1 A 80 80 SER CB C 77 64.733 67.049 -2.316 1
1 1010 . 11 1 1 A 80 80 SER N N 77 113.369 114.132 -0.763 1
1 1011 . 11 1 1 A 81 81 VAL H H 78 8.814 8.707 0.107 1
1 1012 . 11 1 1 A 81 81 VAL HA H 78 5.102 5.082 0.020 1
1 1020 . 11 1 1 A 81 81 VAL C C 78 173.761 174.622 -0.861 1
1 1021 . 11 1 1 A 81 81 VAL CA C 78 61.004 59.862 1.142 1
1 1022 . 11 1 1 A 81 81 VAL CB C 78 34.638 35.858 -1.220 1
1 1025 . 11 1 1 A 81 81 VAL N N 78 123.792 121.213 2.579 1
1 1026 . 11 1 1 A 82 82 GLY H H 79 8.628 8.632 -0.004 1
1 1027 . 11 1 1 A 82 82 GLY HA2 H 79 4.365 4.304 0.061 1
1 1028 . 11 1 1 A 82 82 GLY HA3 H 79 4.214 4.444 -0.230 1
1 1029 . 11 1 1 A 82 82 GLY C C 79 171.201 171.789 -0.588 1
1 1030 . 11 1 1 A 82 82 GLY CA C 79 45.606 45.740 -0.134 1
1 1031 . 11 1 1 A 82 82 GLY N N 79 111.112 113.012 -1.900 1
1 1032 . 11 1 1 A 83 83 LYS H H 80 8.670 8.211 0.459 1
1 1033 . 11 1 1 A 83 83 LYS HA H 80 4.205 4.884 -0.679 1
1 1042 . 11 1 1 A 83 83 LYS C C 80 176.080 176.401 -0.321 1
1 1043 . 11 1 1 A 83 83 LYS CA C 80 55.451 54.001 1.450 1
1 1044 . 11 1 1 A 83 83 LYS CB C 80 32.665 35.870 -3.205 1
1 1048 . 11 1 1 A 83 83 LYS N N 80 120.943 122.415 -1.472 1
1 1049 . 11 1 1 A 84 84 ALA H H 81 8.049 8.360 -0.311 1
1 1050 . 11 1 1 A 84 84 ALA HA H 81 4.182 4.258 -0.076 1
1 1054 . 11 1 1 A 84 84 ALA C C 81 176.941 177.641 -0.700 1
1 1055 . 11 1 1 A 84 84 ALA CA C 81 52.248 51.935 0.313 1
1 1056 . 11 1 1 A 84 84 ALA CB C 81 19.450 19.633 -0.183 1
1 1057 . 11 1 1 A 84 84 ALA N N 81 125.262 123.118 2.144 1
1 1058 . 11 1 1 A 85 85 GLU H H 82 8.460 7.545 0.915 1
1 1059 . 11 1 1 A 85 85 GLU HA H 82 4.230 4.331 -0.101 1
1 1064 . 11 1 1 A 85 85 GLU C C 82 176.599 176.545 0.054 1
1 1065 . 11 1 1 A 85 85 GLU CA C 82 56.446 57.158 -0.712 1
1 1066 . 11 1 1 A 85 85 GLU CB C 82 29.853 29.593 0.260 1
1 1068 . 11 1 1 A 85 85 GLU N N 82 119.296 118.143 1.153 1
1 1069 . 11 1 1 A 86 86 ALA H H 83 8.403 9.144 -0.741 1
1 1070 . 11 1 1 A 86 86 ALA HA H 83 4.149 4.076 0.073 1
1 1074 . 11 1 1 A 86 86 ALA C C 83 177.777 176.511 1.266 1
1 1075 . 11 1 1 A 86 86 ALA CA C 83 53.448 53.558 -0.110 1
1 1076 . 11 1 1 A 86 86 ALA CB C 83 18.887 17.664 1.223 1
1 1077 . 11 1 1 A 86 86 ALA N N 83 124.833 122.574 2.259 1
1 1078 . 11 1 1 A 87 87 SER H H 84 8.301 8.364 -0.063 1
1 1079 . 11 1 1 A 87 87 SER HA H 84 4.297 4.356 -0.059 1
1 1082 . 11 1 1 A 87 87 SER C C 84 175.370 174.389 0.981 1
1 1083 . 11 1 1 A 87 87 SER N N 84 113.395 104.353 9.042 1
1 1084 . 11 1 1 A 88 88 GLU H H 85 8.271 7.843 0.428 1
1 1085 . 11 1 1 A 88 88 GLU HA H 85 4.239 3.917 0.322 1
1 1090 . 11 1 1 A 88 88 GLU C C 85 177.081 178.751 -1.670 1
1 1091 . 11 1 1 A 88 88 GLU CA C 85 57.140 59.212 -2.072 1
1 1092 . 11 1 1 A 88 88 GLU CB C 85 29.856 29.300 0.556 1
1 1094 . 11 1 1 A 88 88 GLU N N 85 122.554 120.261 2.293 1
1 1095 . 11 1 1 A 89 89 VAL H H 86 7.833 7.363 0.470 1
1 1096 . 11 1 1 A 89 89 VAL HA H 86 3.895 3.698 0.197 1
1 1104 . 11 1 1 A 89 89 VAL C C 86 177.172 177.656 -0.484 1
1 1105 . 11 1 1 A 89 89 VAL CA C 86 63.045 65.516 -2.471 1
1 1106 . 11 1 1 A 89 89 VAL CB C 86 32.107 31.142 0.965 1
1 1109 . 11 1 1 A 89 89 VAL N N 86 119.916 118.960 0.956 1
1 1110 . 11 1 1 A 90 90 TYR H H 87 8.142 7.204 0.938 1
1 1111 . 11 1 1 A 90 90 TYR HA H 87 4.479 4.329 0.150 1
1 1118 . 11 1 1 A 90 90 TYR C C 87 176.637 178.251 -1.614 1
1 1119 . 11 1 1 A 90 90 TYR CA C 87 58.545 60.748 -2.203 1
1 1120 . 11 1 1 A 90 90 TYR CB C 87 37.732 38.444 -0.712 1
1 1121 . 11 1 1 A 90 90 TYR N N 87 122.303 121.986 0.317 1
1 1122 . 11 1 1 A 91 91 SER H H 88 8.090 8.228 -0.138 1
1 1123 . 11 1 1 A 91 91 SER HA H 88 4.335 4.273 0.062 1
1 1126 . 11 1 1 A 91 91 SER C C 88 176.130 175.934 0.196 1
1 1127 . 11 1 1 A 91 91 SER CA C 88 59.899 61.669 -1.770 1
1 1128 . 11 1 1 A 91 91 SER CB C 88 62.483 62.876 -0.393 1
1 1129 . 11 1 1 A 91 91 SER N N 88 115.828 116.007 -0.179 1
1 1130 . 11 1 1 A 92 92 GLU H H 89 8.234 8.239 -0.005 1
1 1131 . 11 1 1 A 92 92 GLU HA H 89 4.213 4.061 0.152 1
1 1136 . 11 1 1 A 92 92 GLU C C 89 177.600 178.544 -0.944 1
1 1137 . 11 1 1 A 92 92 GLU CA C 89 57.701 59.460 -1.759 1
1 1138 . 11 1 1 A 92 92 GLU CB C 89 29.575 29.393 0.182 1
1 1140 . 11 1 1 A 92 92 GLU N N 89 121.225 122.362 -1.137 1
1 1141 . 11 1 1 A 93 93 ALA H H 90 7.960 7.739 0.221 1
1 1142 . 11 1 1 A 93 93 ALA HA H 90 4.025 4.230 -0.205 1
1 1146 . 11 1 1 A 93 93 ALA C C 90 178.550 179.695 -1.145 1
1 1147 . 11 1 1 A 93 93 ALA CA C 90 54.225 55.113 -0.888 1
1 1148 . 11 1 1 A 93 93 ALA CB C 90 18.325 18.722 -0.397 1
1 1149 . 11 1 1 A 93 93 ALA N N 90 122.055 122.415 -0.360 1
1 1150 . 11 1 1 A 94 94 VAL H H 91 7.799 8.154 -0.355 1
1 1151 . 11 1 1 A 94 94 VAL HA H 91 3.818 3.848 -0.030 1
1 1159 . 11 1 1 A 94 94 VAL CA C 91 64.167 65.255 -1.088 1
1 1160 . 11 1 1 A 94 94 VAL CB C 91 31.825 31.075 0.750 1
1 1163 . 11 1 1 A 94 94 VAL N N 91 115.727 117.126 -1.399 1
1 1164 . 11 1 1 A 95 95 LYS H H 92 7.764 7.732 0.032 1
1 1165 . 11 1 1 A 95 95 LYS HA H 92 4.197 4.174 0.023 1
1 1174 . 11 1 1 A 95 95 LYS C C 92 177.600 178.413 -0.813 1
1 1175 . 11 1 1 A 95 95 LYS CA C 92 57.139 59.439 -2.300 1
1 1176 . 11 1 1 A 95 95 LYS CB C 92 32.600 32.261 0.339 1
1 1180 . 11 1 1 A 95 95 LYS N N 92 120.823 122.160 -1.337 1
1 1181 . 11 1 1 A 96 96 ARG H H 93 7.970 7.798 0.172 1
1 1182 . 11 1 1 A 96 96 ARG HA H 93 4.341 4.231 0.110 1
1 1189 . 11 1 1 A 96 96 ARG C C 93 179.703 177.815 1.888 1
1 1190 . 11 1 1 A 96 96 ARG CA C 93 56.295 58.201 -1.906 1
1 1191 . 11 1 1 A 96 96 ARG CB C 93 31.400 30.544 0.856 1
1 1194 . 11 1 1 A 96 96 ARG N N 93 119.070 118.315 0.755 1
1 1195 . 11 1 1 A 97 97 ILE H H 94 8.012 7.544 0.468 1
1 1196 . 11 1 1 A 97 97 ILE HA H 94 4.216 4.097 0.119 1
1 1206 . 11 1 1 A 97 97 ILE C C 94 175.509 176.872 -1.363 1
1 1207 . 11 1 1 A 97 97 ILE CA C 94 61.362 64.083 -2.721 1
1 1208 . 11 1 1 A 97 97 ILE CB C 94 38.576 38.172 0.404 1
1 1212 . 11 1 1 A 97 97 ILE N N 94 120.512 117.195 3.317 1
1 16 . 12 1 1 A 5 5 ALA H H 2 8.084 8.789 -0.705 1
1 17 . 12 1 1 A 5 5 ALA HA H 2 4.423 5.471 -1.048 1
1 21 . 12 1 1 A 5 5 ALA C C 2 176.536 175.203 1.333 1
1 22 . 12 1 1 A 5 5 ALA CA C 2 51.634 50.232 1.402 1
1 23 . 12 1 1 A 5 5 ALA CB C 2 19.439 21.754 -2.315 1
1 24 . 12 1 1 A 5 5 ALA N N 2 125.284 127.516 -2.232 1
1 25 . 12 1 1 A 6 6 TYR H H 3 8.406 8.936 -0.530 1
1 26 . 12 1 1 A 6 6 TYR HA H 3 4.312 4.713 -0.401 1
1 33 . 12 1 1 A 6 6 TYR C C 3 175.433 175.780 -0.347 1
1 34 . 12 1 1 A 6 6 TYR CA C 3 57.701 57.716 -0.015 1
1 35 . 12 1 1 A 6 6 TYR CB C 3 39.701 40.541 -0.840 1
1 36 . 12 1 1 A 6 6 TYR N N 3 120.887 121.389 -0.502 1
1 37 . 12 1 1 A 7 7 PHE H H 4 8.703 9.226 -0.523 1
1 38 . 12 1 1 A 7 7 PHE HA H 4 4.645 4.858 -0.213 1
1 45 . 12 1 1 A 7 7 PHE C C 4 173.812 174.874 -1.062 1
1 46 . 12 1 1 A 7 7 PHE CA C 4 56.853 57.588 -0.735 1
1 47 . 12 1 1 A 7 7 PHE CB C 4 40.541 40.306 0.235 1
1 48 . 12 1 1 A 7 7 PHE N N 4 119.295 120.345 -1.050 1
1 49 . 12 1 1 A 8 8 LEU H H 5 8.255 8.741 -0.486 1
1 50 . 12 1 1 A 8 8 LEU HA H 5 4.985 5.162 -0.177 1
1 60 . 12 1 1 A 8 8 LEU C C 5 174.927 174.378 0.549 1
1 61 . 12 1 1 A 8 8 LEU CA C 5 53.544 53.553 -0.009 1
1 62 . 12 1 1 A 8 8 LEU CB C 5 44.201 45.204 -1.003 1
1 66 . 12 1 1 A 8 8 LEU N N 5 124.516 123.112 1.404 1
1 67 . 12 1 1 A 9 9 ASP H H 6 9.047 9.138 -0.091 1
1 68 . 12 1 1 A 9 9 ASP HA H 6 5.089 5.445 -0.356 1
1 71 . 12 1 1 A 9 9 ASP C C 6 173.216 173.906 -0.690 1
1 72 . 12 1 1 A 9 9 ASP CA C 6 52.278 52.815 -0.537 1
1 73 . 12 1 1 A 9 9 ASP CB C 6 45.326 45.264 0.062 1
1 74 . 12 1 1 A 9 9 ASP N N 6 126.171 126.417 -0.246 1
1 75 . 12 1 1 A 10 10 PHE H H 7 8.891 8.785 0.106 1
1 76 . 12 1 1 A 10 10 PHE HA H 7 4.545 4.690 -0.145 1
1 83 . 12 1 1 A 10 10 PHE C C 7 175.218 174.260 0.958 1
1 84 . 12 1 1 A 10 10 PHE CA C 7 56.243 56.129 0.114 1
1 85 . 12 1 1 A 10 10 PHE CB C 7 43.638 42.626 1.012 1
1 86 . 12 1 1 A 10 10 PHE N N 7 119.178 120.626 -1.448 1
1 87 . 12 1 1 A 11 11 ASP H H 8 8.124 8.425 -0.301 1
1 88 . 12 1 1 A 11 11 ASP HA H 8 4.551 4.824 -0.273 1
1 91 . 12 1 1 A 11 11 ASP C C 8 177.157 177.300 -0.143 1
1 92 . 12 1 1 A 11 11 ASP CA C 8 54.315 54.320 -0.005 1
1 93 . 12 1 1 A 11 11 ASP CB C 8 44.201 42.675 1.526 1
1 94 . 12 1 1 A 11 11 ASP N N 8 123.305 123.541 -0.236 1
1 95 . 12 1 1 A 12 12 GLU H H 9 9.197 9.008 0.189 1
1 96 . 12 1 1 A 12 12 GLU HA H 9 4.016 4.101 -0.085 1
1 101 . 12 1 1 A 12 12 GLU C C 9 178.880 178.717 0.163 1
1 102 . 12 1 1 A 12 12 GLU CA C 9 60.365 59.120 1.245 1
1 103 . 12 1 1 A 12 12 GLU CB C 9 29.670 29.085 0.585 1
1 105 . 12 1 1 A 12 12 GLU N N 9 127.082 123.054 4.028 1
1 106 . 12 1 1 A 13 13 ARG H H 10 8.949 8.683 0.266 1
1 107 . 12 1 1 A 13 13 ARG HA H 10 4.097 4.106 -0.009 1
1 114 . 12 1 1 A 13 13 ARG C C 10 179.273 179.057 0.216 1
1 115 . 12 1 1 A 13 13 ARG CA C 10 58.924 58.852 0.072 1
1 116 . 12 1 1 A 13 13 ARG CB C 10 30.138 30.234 -0.096 1
1 119 . 12 1 1 A 13 13 ARG N N 10 119.265 119.559 -0.294 1
1 120 . 12 1 1 A 14 14 ALA H H 11 7.451 7.950 -0.499 1
1 121 . 12 1 1 A 14 14 ALA HA H 11 4.685 4.164 0.521 1
1 125 . 12 1 1 A 14 14 ALA C C 11 179.564 179.971 -0.407 1
1 126 . 12 1 1 A 14 14 ALA CA C 11 53.705 55.042 -1.337 1
1 127 . 12 1 1 A 14 14 ALA CB C 11 18.325 18.138 0.187 1
1 128 . 12 1 1 A 14 14 ALA N N 11 122.421 121.718 0.703 1
1 129 . 12 1 1 A 15 15 LEU H H 12 8.683 8.144 0.539 1
1 130 . 12 1 1 A 15 15 LEU HA H 12 3.877 3.794 0.083 1
1 140 . 12 1 1 A 15 15 LEU C C 12 178.550 179.437 -0.887 1
1 141 . 12 1 1 A 15 15 LEU CA C 12 57.139 57.660 -0.521 1
1 142 . 12 1 1 A 15 15 LEU CB C 12 41.103 41.179 -0.076 1
1 146 . 12 1 1 A 15 15 LEU N N 12 120.118 118.536 1.582 1
1 147 . 12 1 1 A 16 16 LYS H H 13 7.345 8.125 -0.780 1
1 148 . 12 1 1 A 16 16 LYS HA H 13 3.995 3.914 0.081 1
1 157 . 12 1 1 A 16 16 LYS C C 13 179.678 179.873 -0.195 1
1 158 . 12 1 1 A 16 16 LYS CA C 13 59.700 60.462 -0.762 1
1 159 . 12 1 1 A 16 16 LYS CB C 13 32.388 32.080 0.308 1
1 163 . 12 1 1 A 16 16 LYS N N 13 117.725 118.238 -0.513 1
1 164 . 12 1 1 A 17 17 GLU H H 14 7.453 7.817 -0.364 1
1 165 . 12 1 1 A 17 17 GLU HA H 14 4.016 4.103 -0.087 1
1 170 . 12 1 1 A 17 17 GLU C C 14 179.589 179.069 0.520 1
1 171 . 12 1 1 A 17 17 GLU CA C 14 58.841 59.202 -0.361 1
1 172 . 12 1 1 A 17 17 GLU CB C 14 29.298 29.326 -0.028 1
1 174 . 12 1 1 A 17 17 GLU N N 14 118.019 119.756 -1.737 1
1 175 . 12 1 1 A 18 18 TRP H H 15 9.081 8.658 0.423 1
1 176 . 12 1 1 A 18 18 TRP HA H 15 4.174 4.222 -0.048 1
1 183 . 12 1 1 A 18 18 TRP C C 15 178.360 178.738 -0.378 1
1 184 . 12 1 1 A 18 18 TRP CA C 15 59.938 61.144 -1.206 1
1 185 . 12 1 1 A 18 18 TRP CB C 15 30.241 29.409 0.832 1
1 186 . 12 1 1 A 18 18 TRP N N 15 122.628 122.087 0.541 1
1 188 . 12 1 1 A 19 19 ARG H H 16 8.197 8.438 -0.241 1
1 189 . 12 1 1 A 19 19 ARG HA H 16 3.863 4.074 -0.211 1
1 196 . 12 1 1 A 19 19 ARG C C 16 177.030 178.905 -1.875 1
1 197 . 12 1 1 A 19 19 ARG CA C 16 58.516 58.850 -0.334 1
1 198 . 12 1 1 A 19 19 ARG CB C 16 30.300 29.637 0.663 1
1 201 . 12 1 1 A 19 19 ARG N N 16 115.582 118.474 -2.892 1
1 202 . 12 1 1 A 20 20 LYS H H 17 7.308 7.712 -0.404 1
1 203 . 12 1 1 A 20 20 LYS HA H 17 4.238 4.126 0.112 1
1 212 . 12 1 1 A 20 20 LYS C C 17 177.043 177.187 -0.144 1
1 213 . 12 1 1 A 20 20 LYS CA C 17 56.270 58.942 -2.672 1
1 214 . 12 1 1 A 20 20 LYS CB C 17 32.300 32.183 0.117 1
1 218 . 12 1 1 A 20 20 LYS N N 17 116.689 119.745 -3.056 1
1 219 . 12 1 1 A 21 21 LEU H H 18 6.998 7.667 -0.669 1
1 220 . 12 1 1 A 21 21 LEU HA H 18 4.026 4.090 -0.064 1
1 230 . 12 1 1 A 21 21 LEU C C 18 177.676 177.440 0.236 1
1 231 . 12 1 1 A 21 21 LEU CA C 18 54.567 55.211 -0.644 1
1 232 . 12 1 1 A 21 21 LEU CB C 18 43.357 41.995 1.362 1
1 236 . 12 1 1 A 21 21 LEU N N 18 118.778 120.713 -1.935 1
1 237 . 12 1 1 A 22 22 GLY H H 19 8.370 8.312 0.058 1
1 238 . 12 1 1 A 22 22 GLY HA2 H 19 4.064 3.934 0.130 1
1 239 . 12 1 1 A 22 22 GLY HA3 H 19 3.845 3.954 -0.109 1
1 240 . 12 1 1 A 22 22 GLY C C 19 174.813 174.722 0.091 1
1 241 . 12 1 1 A 22 22 GLY CA C 19 45.045 45.194 -0.149 1
1 242 . 12 1 1 A 22 22 GLY N N 19 107.490 109.665 -2.175 1
1 243 . 12 1 1 A 23 23 SER H H 20 8.675 8.772 -0.097 1
1 244 . 12 1 1 A 23 23 SER HA H 20 4.288 3.948 0.340 1
1 247 . 12 1 1 A 23 23 SER CA C 20 58.981 62.617 -3.636 1
1 248 . 12 1 1 A 23 23 SER CB C 20 63.045 62.644 0.401 1
1 249 . 12 1 1 A 23 23 SER N N 20 117.877 117.631 0.246 1
1 250 . 12 1 1 A 24 24 THR H H 21 8.216 7.852 0.364 1
1 251 . 12 1 1 A 24 24 THR HA H 21 3.983 3.939 0.044 1
1 256 . 12 1 1 A 24 24 THR C C 21 176.510 176.776 -0.266 1
1 257 . 12 1 1 A 24 24 THR CA C 21 65.858 66.351 -0.493 1
1 258 . 12 1 1 A 24 24 THR CB C 21 67.941 68.097 -0.156 1
1 260 . 12 1 1 A 24 24 THR N N 21 115.680 117.403 -1.723 1
1 261 . 12 1 1 A 25 25 VAL H H 22 7.143 7.867 -0.724 1
1 262 . 12 1 1 A 25 25 VAL HA H 22 3.545 3.396 0.149 1
1 270 . 12 1 1 A 25 25 VAL C C 22 177.613 177.633 -0.020 1
1 271 . 12 1 1 A 25 25 VAL CA C 22 65.577 66.668 -1.091 1
1 272 . 12 1 1 A 25 25 VAL CB C 22 31.544 31.318 0.226 1
1 275 . 12 1 1 A 25 25 VAL N N 22 122.443 121.849 0.594 1
1 276 . 12 1 1 A 26 26 ARG H H 23 7.840 8.003 -0.163 1
1 277 . 12 1 1 A 26 26 ARG HA H 23 3.156 3.576 -0.420 1
1 284 . 12 1 1 A 26 26 ARG C C 23 177.790 178.308 -0.518 1
1 285 . 12 1 1 A 26 26 ARG CA C 23 59.951 58.385 1.566 1
1 286 . 12 1 1 A 26 26 ARG CB C 23 29.590 28.867 0.723 1
1 289 . 12 1 1 A 26 26 ARG N N 23 119.146 119.766 -0.620 1
1 290 . 12 1 1 A 27 27 GLU H H 24 8.159 8.495 -0.336 1
1 291 . 12 1 1 A 27 27 GLU HA H 24 3.970 4.058 -0.088 1
1 296 . 12 1 1 A 27 27 GLU C C 24 179.577 179.627 -0.050 1
1 297 . 12 1 1 A 27 27 GLU CA C 24 59.400 59.177 0.223 1
1 298 . 12 1 1 A 27 27 GLU CB C 24 29.013 29.386 -0.373 1
1 300 . 12 1 1 A 27 27 GLU N N 24 116.672 118.600 -1.928 1
1 301 . 12 1 1 A 28 28 GLN H H 25 7.693 7.587 0.106 1
1 302 . 12 1 1 A 28 28 GLN HA H 25 4.094 4.070 0.024 1
1 309 . 12 1 1 A 28 28 GLN C C 25 179.919 179.592 0.327 1
1 310 . 12 1 1 A 28 28 GLN CA C 25 59.108 58.697 0.411 1
1 311 . 12 1 1 A 28 28 GLN CB C 25 29.575 28.180 1.395 1
1 313 . 12 1 1 A 28 28 GLN N N 25 118.482 119.142 -0.660 1
1 315 . 12 1 1 A 29 29 LEU H H 26 8.441 8.069 0.372 1
1 316 . 12 1 1 A 29 29 LEU HA H 26 4.096 4.149 -0.053 1
1 326 . 12 1 1 A 29 29 LEU C C 26 178.804 179.449 -0.645 1
1 327 . 12 1 1 A 29 29 LEU CA C 26 57.983 58.094 -0.111 1
1 328 . 12 1 1 A 29 29 LEU CB C 26 42.513 41.603 0.910 1
1 332 . 12 1 1 A 29 29 LEU N N 26 119.907 120.547 -0.640 1
1 333 . 12 1 1 A 30 30 LYS H H 27 9.233 8.969 0.264 1
1 334 . 12 1 1 A 30 30 LYS HA H 27 4.076 4.311 -0.235 1
1 343 . 12 1 1 A 30 30 LYS C C 27 178.056 178.966 -0.910 1
1 344 . 12 1 1 A 30 30 LYS CA C 27 60.233 59.438 0.795 1
1 345 . 12 1 1 A 30 30 LYS CB C 27 32.103 32.352 -0.249 1
1 349 . 12 1 1 A 30 30 LYS N N 27 120.508 118.627 1.881 1
1 350 . 12 1 1 A 31 31 LYS H H 28 7.698 7.479 0.219 1
1 351 . 12 1 1 A 31 31 LYS HA H 28 4.056 4.114 -0.058 1
1 360 . 12 1 1 A 31 31 LYS C C 28 179.539 179.483 0.056 1
1 361 . 12 1 1 A 31 31 LYS CA C 28 59.596 59.831 -0.235 1
1 362 . 12 1 1 A 31 31 LYS CB C 28 32.400 32.157 0.243 1
1 366 . 12 1 1 A 31 31 LYS N N 28 117.412 119.319 -1.907 1
1 367 . 12 1 1 A 32 32 LYS H H 29 7.347 7.434 -0.087 1
1 368 . 12 1 1 A 32 32 LYS HA H 29 4.230 4.025 0.205 1
1 377 . 12 1 1 A 32 32 LYS C C 29 179.057 179.420 -0.363 1
1 378 . 12 1 1 A 32 32 LYS CA C 29 57.553 59.606 -2.053 1
1 379 . 12 1 1 A 32 32 LYS CB C 29 32.103 32.519 -0.416 1
1 383 . 12 1 1 A 32 32 LYS N N 29 116.983 120.071 -3.088 1
1 384 . 12 1 1 A 33 33 LEU H H 30 8.663 8.043 0.620 1
1 385 . 12 1 1 A 33 33 LEU HA H 30 3.844 3.971 -0.127 1
1 395 . 12 1 1 A 33 33 LEU C C 30 177.765 178.756 -0.991 1
1 396 . 12 1 1 A 33 33 LEU CA C 30 57.420 58.047 -0.627 1
1 397 . 12 1 1 A 33 33 LEU CB C 30 42.513 41.886 0.627 1
1 401 . 12 1 1 A 33 33 LEU N N 30 121.134 120.466 0.668 1
1 402 . 12 1 1 A 34 34 VAL H H 31 8.185 8.221 -0.036 1
1 403 . 12 1 1 A 34 34 VAL HA H 31 3.548 3.478 0.070 1
1 411 . 12 1 1 A 34 34 VAL C C 31 178.639 177.804 0.835 1
1 412 . 12 1 1 A 34 34 VAL CA C 31 66.702 66.882 -0.180 1
1 413 . 12 1 1 A 34 34 VAL CB C 31 31.544 31.188 0.356 1
1 416 . 12 1 1 A 34 34 VAL N N 31 117.076 118.815 -1.739 1
1 417 . 12 1 1 A 35 35 GLU H H 32 7.143 8.269 -1.126 1
1 418 . 12 1 1 A 35 35 GLU HA H 32 4.093 4.058 0.035 1
1 423 . 12 1 1 A 35 35 GLU C C 32 179.450 178.786 0.664 1
1 424 . 12 1 1 A 35 35 GLU CA C 32 58.264 59.062 -0.798 1
1 425 . 12 1 1 A 35 35 GLU CB C 32 29.575 29.204 0.371 1
1 427 . 12 1 1 A 35 35 GLU N N 32 117.290 119.479 -2.189 1
1 428 . 12 1 1 A 36 36 VAL H H 33 7.659 8.272 -0.613 1
1 429 . 12 1 1 A 36 36 VAL HA H 33 3.774 3.778 -0.004 1
1 437 . 12 1 1 A 36 36 VAL C C 33 176.929 177.596 -0.667 1
1 438 . 12 1 1 A 36 36 VAL CA C 33 63.889 65.254 -1.365 1
1 439 . 12 1 1 A 36 36 VAL CB C 33 31.825 31.076 0.749 1
1 442 . 12 1 1 A 36 36 VAL N N 33 118.056 119.878 -1.822 1
1 443 . 12 1 1 A 37 37 LEU H H 34 7.679 7.807 -0.128 1
1 444 . 12 1 1 A 37 37 LEU HA H 34 3.619 3.859 -0.240 1
1 454 . 12 1 1 A 37 37 LEU C C 34 177.968 179.604 -1.636 1
1 455 . 12 1 1 A 37 37 LEU CA C 34 57.420 57.191 0.229 1
1 456 . 12 1 1 A 37 37 LEU CB C 34 40.263 41.434 -1.171 1
1 460 . 12 1 1 A 37 37 LEU N N 34 116.847 121.682 -4.835 1
1 461 . 12 1 1 A 38 38 GLU H H 35 7.238 8.524 -1.286 1
1 462 . 12 1 1 A 38 38 GLU HA H 35 4.295 4.192 0.103 1
1 467 . 12 1 1 A 38 38 GLU C C 35 177.853 176.718 1.135 1
1 468 . 12 1 1 A 38 38 GLU CA C 35 57.900 58.239 -0.339 1
1 469 . 12 1 1 A 38 38 GLU CB C 35 30.138 28.581 1.557 1
1 471 . 12 1 1 A 38 38 GLU N N 35 113.881 116.812 -2.931 1
1 472 . 12 1 1 A 39 39 SER H H 36 7.101 7.961 -0.860 1
1 473 . 12 1 1 A 39 39 SER HA H 36 4.518 4.902 -0.384 1
1 476 . 12 1 1 A 39 39 SER CA C 36 55.553 55.505 0.048 1
1 477 . 12 1 1 A 39 39 SER CB C 36 61.920 63.173 -1.253 1
1 478 . 12 1 1 A 39 39 SER N N 36 109.128 115.840 -6.712 1
1 479 . 12 1 1 A 40 40 PRO HA H 37 4.363 4.249 0.114 1
1 486 . 12 1 1 A 40 40 PRO C C 37 177.879 177.052 0.827 1
1 487 . 12 1 1 A 40 40 PRO CA C 37 64.705 63.717 0.988 1
1 488 . 12 1 1 A 40 40 PRO CB C 37 32.669 31.613 1.056 1
1 491 . 12 1 1 A 41 41 ARG H H 38 8.299 8.125 0.174 1
1 492 . 12 1 1 A 41 41 ARG HA H 38 3.183 4.012 -0.829 1
1 499 . 12 1 1 A 41 41 ARG C C 38 174.217 175.433 -1.216 1
1 500 . 12 1 1 A 41 41 ARG CA C 38 56.014 55.726 0.288 1
1 501 . 12 1 1 A 41 41 ARG CB C 38 29.571 29.732 -0.161 1
1 504 . 12 1 1 A 41 41 ARG N N 38 121.121 115.290 5.831 1
1 505 . 12 1 1 A 42 42 ILE H H 39 5.995 7.077 -1.082 1
1 506 . 12 1 1 A 42 42 ILE HA H 39 4.177 4.220 -0.043 1
1 516 . 12 1 1 A 42 42 ILE C C 39 176.295 177.516 -1.221 1
1 517 . 12 1 1 A 42 42 ILE CA C 39 59.389 61.313 -1.924 1
1 518 . 12 1 1 A 42 42 ILE CB C 39 39.138 36.800 2.338 1
1 522 . 12 1 1 A 42 42 ILE N N 39 128.247 121.775 6.472 1
1 523 . 12 1 1 A 43 43 GLU H H 40 8.893 8.866 0.027 1
1 524 . 12 1 1 A 43 43 GLU HA H 40 4.174 4.250 -0.076 1
1 529 . 12 1 1 A 43 43 GLU C C 40 178.918 178.121 0.797 1
1 530 . 12 1 1 A 43 43 GLU CA C 40 60.336 58.877 1.459 1
1 531 . 12 1 1 A 43 43 GLU CB C 40 29.100 29.157 -0.057 1
1 533 . 12 1 1 A 43 43 GLU N N 40 130.055 127.601 2.454 1
1 534 . 12 1 1 A 44 44 ALA H H 41 8.851 7.781 1.070 1
1 535 . 12 1 1 A 44 44 ALA HA H 41 4.222 4.234 -0.012 1
1 539 . 12 1 1 A 44 44 ALA C C 41 178.069 177.997 0.072 1
1 540 . 12 1 1 A 44 44 ALA CA C 41 54.148 53.866 0.282 1
1 541 . 12 1 1 A 44 44 ALA CB C 41 18.606 18.355 0.251 1
1 542 . 12 1 1 A 44 44 ALA N N 41 119.773 121.961 -2.188 1
1 543 . 12 1 1 A 45 45 ASN H H 42 8.176 8.165 0.011 1
1 544 . 12 1 1 A 45 45 ASN HA H 42 5.046 4.809 0.237 1
1 549 . 12 1 1 A 45 45 ASN C C 42 174.521 175.438 -0.917 1
1 550 . 12 1 1 A 45 45 ASN CA C 42 51.495 53.103 -1.608 1
1 551 . 12 1 1 A 45 45 ASN CB C 42 38.853 39.612 -0.759 1
1 552 . 12 1 1 A 45 45 ASN N N 42 114.425 115.227 -0.802 1
1 554 . 12 1 1 A 46 46 LYS H H 43 7.524 7.618 -0.094 1
1 555 . 12 1 1 A 46 46 LYS HA H 43 3.769 4.323 -0.554 1
1 564 . 12 1 1 A 46 46 LYS C C 43 176.143 175.806 0.337 1
1 565 . 12 1 1 A 46 46 LYS CA C 43 56.858 56.523 0.335 1
1 566 . 12 1 1 A 46 46 LYS CB C 43 33.232 32.904 0.328 1
1 570 . 12 1 1 A 46 46 LYS N N 43 122.393 120.776 1.617 1
1 571 . 12 1 1 A 47 47 LEU H H 44 7.982 8.453 -0.471 1
1 572 . 12 1 1 A 47 47 LEU HA H 44 4.374 4.571 -0.197 1
1 582 . 12 1 1 A 47 47 LEU C C 44 176.143 176.131 0.012 1
1 583 . 12 1 1 A 47 47 LEU CA C 44 53.746 53.846 -0.100 1
1 584 . 12 1 1 A 47 47 LEU CB C 44 41.951 41.943 0.008 1
1 588 . 12 1 1 A 47 47 LEU N N 44 127.624 123.961 3.663 1
1 589 . 12 1 1 A 48 48 ARG H H 45 8.549 8.769 -0.220 1
1 590 . 12 1 1 A 48 48 ARG HA H 45 4.346 4.315 0.031 1
1 597 . 12 1 1 A 48 48 ARG CA C 45 55.800 57.037 -1.237 1
1 598 . 12 1 1 A 48 48 ARG CB C 45 31.263 29.755 1.508 1
1 601 . 12 1 1 A 48 48 ARG N N 45 125.873 124.906 0.967 1
1 602 . 12 1 1 A 49 49 GLY H H 46 8.800 8.755 0.045 1
1 603 . 12 1 1 A 49 49 GLY HA2 H 46 3.760 4.010 -0.250 1
1 604 . 12 1 1 A 49 49 GLY HA3 H 46 4.070 4.061 0.009 1
1 605 . 12 1 1 A 49 49 GLY C C 46 173.482 173.662 -0.180 1
1 606 . 12 1 1 A 49 49 GLY CA C 46 45.326 45.022 0.304 1
1 607 . 12 1 1 A 49 49 GLY N N 46 111.980 112.470 -0.490 1
1 608 . 12 1 1 A 50 50 MET H H 47 7.272 7.548 -0.276 1
1 609 . 12 1 1 A 50 50 MET HA H 47 4.921 4.945 -0.024 1
1 617 . 12 1 1 A 50 50 MET CA C 47 52.049 52.816 -0.767 1
1 618 . 12 1 1 A 50 50 MET CB C 47 33.794 34.761 -0.967 1
1 621 . 12 1 1 A 50 50 MET N N 47 119.077 119.441 -0.364 1
1 622 . 12 1 1 A 51 51 PRO HA H 48 4.294 4.383 -0.089 1
1 629 . 12 1 1 A 51 51 PRO C C 48 176.460 176.684 -0.224 1
1 630 . 12 1 1 A 51 51 PRO CA C 48 63.879 65.811 -1.932 1
1 631 . 12 1 1 A 51 51 PRO CB C 48 31.825 31.434 0.391 1
1 634 . 12 1 1 A 52 52 ASP H H 49 8.661 8.235 0.426 1
1 635 . 12 1 1 A 52 52 ASP HA H 49 4.487 4.590 -0.103 1
1 638 . 12 1 1 A 52 52 ASP C C 49 174.065 174.679 -0.614 1
1 639 . 12 1 1 A 52 52 ASP CA C 49 56.042 53.072 2.970 1
1 640 . 12 1 1 A 52 52 ASP CB C 49 41.107 41.775 -0.668 1
1 641 . 12 1 1 A 52 52 ASP N N 49 116.477 115.900 0.577 1
1 642 . 12 1 1 A 53 53 CYS H H 50 7.575 8.182 -0.607 1
1 643 . 12 1 1 A 53 53 CYS HA H 50 5.835 5.634 0.201 1
1 646 . 12 1 1 A 53 53 CYS C C 50 173.444 172.954 0.490 1
1 647 . 12 1 1 A 53 53 CYS CA C 50 58.110 56.900 1.210 1
1 648 . 12 1 1 A 53 53 CYS CB C 50 30.700 31.594 -0.894 1
1 649 . 12 1 1 A 53 53 CYS N N 50 114.414 122.759 -8.345 1
1 650 . 12 1 1 A 54 54 TYR H H 51 8.806 9.174 -0.368 1
1 651 . 12 1 1 A 54 54 TYR HA H 51 4.737 5.478 -0.741 1
1 658 . 12 1 1 A 54 54 TYR C C 51 172.950 174.109 -1.159 1
1 659 . 12 1 1 A 54 54 TYR CA C 51 56.066 56.223 -0.157 1
1 660 . 12 1 1 A 54 54 TYR CB C 51 42.794 43.170 -0.376 1
1 661 . 12 1 1 A 54 54 TYR N N 51 120.858 120.652 0.206 1
1 662 . 12 1 1 A 55 55 LYS H H 52 8.425 8.822 -0.397 1
1 663 . 12 1 1 A 55 55 LYS HA H 52 5.687 5.380 0.307 1
1 672 . 12 1 1 A 55 55 LYS C C 52 176.498 174.907 1.591 1
1 673 . 12 1 1 A 55 55 LYS CA C 52 53.291 54.276 -0.985 1
1 674 . 12 1 1 A 55 55 LYS CB C 52 36.325 36.080 0.245 1
1 678 . 12 1 1 A 55 55 LYS N N 52 115.794 118.335 -2.541 1
1 679 . 12 1 1 A 56 56 ILE H H 53 9.187 9.189 -0.002 1
1 680 . 12 1 1 A 56 56 ILE HA H 53 4.416 4.824 -0.408 1
1 690 . 12 1 1 A 56 56 ILE C C 53 174.572 175.748 -1.176 1
1 691 . 12 1 1 A 56 56 ILE CA C 53 60.971 59.947 1.024 1
1 692 . 12 1 1 A 56 56 ILE CB C 53 41.388 40.589 0.799 1
1 696 . 12 1 1 A 56 56 ILE N N 53 120.315 123.968 -3.653 1
1 697 . 12 1 1 A 57 57 LYS H H 54 8.755 9.062 -0.307 1
1 698 . 12 1 1 A 57 57 LYS HA H 54 5.043 5.107 -0.064 1
1 707 . 12 1 1 A 57 57 LYS C C 54 175.193 175.162 0.031 1
1 708 . 12 1 1 A 57 57 LYS CA C 54 54.359 54.678 -0.319 1
1 709 . 12 1 1 A 57 57 LYS CB C 54 35.482 35.391 0.091 1
1 713 . 12 1 1 A 57 57 LYS N N 54 125.616 124.515 1.101 1
1 714 . 12 1 1 A 58 58 LEU H H 55 8.449 9.149 -0.700 1
1 715 . 12 1 1 A 58 58 LEU HA H 55 4.796 4.465 0.331 1
1 725 . 12 1 1 A 58 58 LEU CA C 55 53.201 55.166 -1.965 1
1 726 . 12 1 1 A 58 58 LEU CB C 55 41.669 43.404 -1.735 1
1 730 . 12 1 1 A 58 58 LEU N N 55 124.214 126.019 -1.805 1
1 731 . 12 1 1 A 59 59 ARG HA H 56 4.008 4.229 -0.221 1
1 738 . 12 1 1 A 59 59 ARG CA C 56 57.420 58.257 -0.837 1
1 739 . 12 1 1 A 59 59 ARG CB C 56 29.575 30.604 -1.029 1
1 742 . 12 1 1 A 60 60 SER HA H 57 4.246 4.688 -0.442 1
1 745 . 12 1 1 A 60 60 SER CA C 57 59.798 57.984 1.814 1
1 746 . 12 1 1 A 60 60 SER CB C 57 63.045 64.867 -1.822 1
1 747 . 12 1 1 A 61 61 SER HA H 58 4.616 4.193 0.423 1
1 750 . 12 1 1 A 61 61 SER C C 58 175.155 174.703 0.452 1
1 751 . 12 1 1 A 61 61 SER CA C 58 58.010 61.149 -3.139 1
1 752 . 12 1 1 A 61 61 SER CB C 58 64.452 61.682 2.770 1
1 753 . 12 1 1 A 62 62 GLY H H 59 8.217 8.955 -0.738 1
1 754 . 12 1 1 A 62 62 GLY HA2 H 59 3.926 3.900 0.026 1
1 755 . 12 1 1 A 62 62 GLY HA3 H 59 4.010 3.940 0.070 1
1 756 . 12 1 1 A 62 62 GLY C C 59 174.407 174.156 0.251 1
1 757 . 12 1 1 A 62 62 GLY CA C 59 45.888 45.712 0.176 1
1 758 . 12 1 1 A 62 62 GLY N N 59 109.272 108.644 0.628 1
1 759 . 12 1 1 A 63 63 TYR H H 60 7.463 7.888 -0.425 1
1 760 . 12 1 1 A 63 63 TYR HA H 60 4.629 4.567 0.062 1
1 767 . 12 1 1 A 63 63 TYR C C 60 175.117 175.067 0.050 1
1 768 . 12 1 1 A 63 63 TYR CA C 60 59.857 57.962 1.895 1
1 769 . 12 1 1 A 63 63 TYR CB C 60 41.388 40.067 1.321 1
1 770 . 12 1 1 A 63 63 TYR N N 60 117.638 118.314 -0.676 1
1 771 . 12 1 1 A 64 64 ARG H H 61 9.261 9.188 0.073 1
1 772 . 12 1 1 A 64 64 ARG HA H 61 5.458 5.792 -0.334 1
1 779 . 12 1 1 A 64 64 ARG C C 61 173.596 174.676 -1.080 1
1 780 . 12 1 1 A 64 64 ARG CA C 61 53.880 54.295 -0.415 1
1 781 . 12 1 1 A 64 64 ARG CB C 61 34.357 34.191 0.166 1
1 784 . 12 1 1 A 64 64 ARG N N 61 119.605 120.638 -1.033 1
1 785 . 12 1 1 A 65 65 LEU H H 62 9.085 9.111 -0.026 1
1 786 . 12 1 1 A 65 65 LEU HA H 62 5.432 5.352 0.080 1
1 796 . 12 1 1 A 65 65 LEU C C 62 174.534 174.468 0.066 1
1 797 . 12 1 1 A 65 65 LEU CA C 62 53.795 53.724 0.071 1
1 798 . 12 1 1 A 65 65 LEU CB C 62 46.732 46.183 0.549 1
1 802 . 12 1 1 A 65 65 LEU N N 62 125.189 124.385 0.804 1
1 803 . 12 1 1 A 66 66 VAL H H 63 9.058 9.119 -0.061 1
1 804 . 12 1 1 A 66 66 VAL HA H 63 4.991 5.143 -0.152 1
1 812 . 12 1 1 A 66 66 VAL C C 63 174.699 175.019 -0.320 1
1 813 . 12 1 1 A 66 66 VAL CA C 63 60.795 60.811 -0.016 1
1 814 . 12 1 1 A 66 66 VAL CB C 63 34.075 33.443 0.632 1
1 817 . 12 1 1 A 66 66 VAL N N 63 125.140 125.655 -0.515 1
1 818 . 12 1 1 A 67 67 TYR H H 64 9.091 8.698 0.393 1
1 819 . 12 1 1 A 67 67 TYR HA H 64 5.659 5.516 0.143 1
1 826 . 12 1 1 A 67 67 TYR C C 64 170.910 173.021 -2.111 1
1 827 . 12 1 1 A 67 67 TYR CA C 64 54.286 55.151 -0.865 1
1 828 . 12 1 1 A 67 67 TYR CB C 64 41.951 42.171 -0.220 1
1 829 . 12 1 1 A 67 67 TYR N N 64 124.150 124.036 0.114 1
1 830 . 12 1 1 A 68 68 GLN H H 65 9.814 9.327 0.487 1
1 831 . 12 1 1 A 68 68 GLN HA H 65 5.510 5.577 -0.067 1
1 838 . 12 1 1 A 68 68 GLN C C 65 175.725 175.092 0.633 1
1 839 . 12 1 1 A 68 68 GLN CA C 65 53.092 54.435 -1.343 1
1 840 . 12 1 1 A 68 68 GLN CB C 65 32.600 31.871 0.729 1
1 842 . 12 1 1 A 68 68 GLN N N 65 123.050 119.078 3.972 1
1 844 . 12 1 1 A 69 69 VAL H H 66 9.198 8.903 0.295 1
1 845 . 12 1 1 A 69 69 VAL HA H 66 4.369 4.954 -0.585 1
1 853 . 12 1 1 A 69 69 VAL C C 66 175.357 174.729 0.628 1
1 854 . 12 1 1 A 69 69 VAL CA C 66 63.045 61.080 1.965 1
1 855 . 12 1 1 A 69 69 VAL CB C 66 32.669 33.755 -1.086 1
1 858 . 12 1 1 A 69 69 VAL N N 66 127.343 116.984 10.359 1
1 859 . 12 1 1 A 70 70 ILE H H 67 9.241 9.493 -0.252 1
1 860 . 12 1 1 A 70 70 ILE HA H 67 4.471 4.464 0.007 1
1 870 . 12 1 1 A 70 70 ILE C C 67 177.081 176.149 0.932 1
1 871 . 12 1 1 A 70 70 ILE CA C 67 59.716 60.848 -1.132 1
1 872 . 12 1 1 A 70 70 ILE CB C 67 37.169 37.054 0.115 1
1 876 . 12 1 1 A 70 70 ILE N N 67 129.254 127.603 1.651 1
1 877 . 12 1 1 A 71 71 ASP H H 68 9.374 8.866 0.508 1
1 878 . 12 1 1 A 71 71 ASP HA H 68 4.574 4.549 0.025 1
1 881 . 12 1 1 A 71 71 ASP C C 68 179.868 178.002 1.866 1
1 882 . 12 1 1 A 71 71 ASP CA C 68 58.797 56.835 1.962 1
1 883 . 12 1 1 A 71 71 ASP CB C 68 40.544 40.879 -0.335 1
1 884 . 12 1 1 A 71 71 ASP N N 68 129.133 128.896 0.237 1
1 885 . 12 1 1 A 72 72 GLU H H 69 9.631 8.294 1.337 1
1 886 . 12 1 1 A 72 72 GLU HA H 69 4.088 4.131 -0.043 1
1 891 . 12 1 1 A 72 72 GLU C C 69 176.865 177.817 -0.952 1
1 892 . 12 1 1 A 72 72 GLU CA C 69 59.670 59.132 0.538 1
1 893 . 12 1 1 A 72 72 GLU CB C 69 29.100 29.782 -0.682 1
1 895 . 12 1 1 A 72 72 GLU N N 69 118.880 118.534 0.346 1
1 896 . 12 1 1 A 73 73 LYS H H 70 6.582 7.441 -0.859 1
1 897 . 12 1 1 A 73 73 LYS HA H 70 4.474 4.372 0.102 1
1 906 . 12 1 1 A 73 73 LYS C C 70 173.964 175.458 -1.494 1
1 907 . 12 1 1 A 73 73 LYS CA C 70 54.604 55.649 -1.045 1
1 908 . 12 1 1 A 73 73 LYS CB C 70 34.075 33.314 0.761 1
1 912 . 12 1 1 A 73 73 LYS N N 70 114.014 117.054 -3.040 1
1 913 . 12 1 1 A 74 74 VAL H H 71 7.791 7.746 0.045 1
1 914 . 12 1 1 A 74 74 VAL HA H 71 2.948 3.406 -0.458 1
1 922 . 12 1 1 A 74 74 VAL C C 71 173.381 174.159 -0.778 1
1 923 . 12 1 1 A 74 74 VAL CA C 71 63.045 63.602 -0.557 1
1 924 . 12 1 1 A 74 74 VAL CB C 71 29.013 29.557 -0.544 1
1 927 . 12 1 1 A 74 74 VAL N N 71 119.301 116.298 3.003 1
1 928 . 12 1 1 A 75 75 VAL H H 72 7.736 7.837 -0.101 1
1 929 . 12 1 1 A 75 75 VAL HA H 72 5.159 5.058 0.101 1
1 937 . 12 1 1 A 75 75 VAL C C 72 175.028 173.964 1.064 1
1 938 . 12 1 1 A 75 75 VAL CA C 72 59.839 60.173 -0.334 1
1 939 . 12 1 1 A 75 75 VAL CB C 72 37.732 35.659 2.073 1
1 942 . 12 1 1 A 75 75 VAL N N 72 116.865 119.879 -3.014 1
1 943 . 12 1 1 A 76 76 VAL H H 73 9.006 9.316 -0.310 1
1 944 . 12 1 1 A 76 76 VAL HA H 73 4.190 4.631 -0.441 1
1 952 . 12 1 1 A 76 76 VAL C C 73 172.177 174.562 -2.385 1
1 953 . 12 1 1 A 76 76 VAL CA C 73 62.473 61.073 1.400 1
1 954 . 12 1 1 A 76 76 VAL CB C 73 32.388 32.433 -0.045 1
1 957 . 12 1 1 A 76 76 VAL N N 73 128.675 128.211 0.464 1
1 958 . 12 1 1 A 77 77 PHE H H 74 9.468 9.505 -0.037 1
1 959 . 12 1 1 A 77 77 PHE HA H 74 5.019 5.169 -0.150 1
1 966 . 12 1 1 A 77 77 PHE C C 74 174.420 173.980 0.440 1
1 967 . 12 1 1 A 77 77 PHE CA C 74 54.378 55.818 -1.440 1
1 968 . 12 1 1 A 77 77 PHE CB C 74 42.230 40.835 1.395 1
1 969 . 12 1 1 A 77 77 PHE N N 74 130.014 128.511 1.503 1
1 970 . 12 1 1 A 78 78 VAL H H 75 8.990 8.945 0.045 1
1 971 . 12 1 1 A 78 78 VAL HA H 75 3.645 4.004 -0.359 1
1 979 . 12 1 1 A 78 78 VAL C C 75 174.813 175.337 -0.524 1
1 980 . 12 1 1 A 78 78 VAL CA C 75 64.452 63.451 1.001 1
1 981 . 12 1 1 A 78 78 VAL CB C 75 31.009 31.202 -0.193 1
1 984 . 12 1 1 A 78 78 VAL N N 75 128.474 127.336 1.138 1
1 985 . 12 1 1 A 79 79 ILE H H 76 8.679 9.030 -0.351 1
1 986 . 12 1 1 A 79 79 ILE HA H 76 4.171 3.997 0.174 1
1 996 . 12 1 1 A 79 79 ILE C C 76 176.092 175.851 0.241 1
1 997 . 12 1 1 A 79 79 ILE CA C 76 61.635 62.374 -0.739 1
1 998 . 12 1 1 A 79 79 ILE CB C 76 39.982 38.510 1.472 1
1 1002 . 12 1 1 A 79 79 ILE N N 76 122.334 128.761 -6.427 1
1 1003 . 12 1 1 A 80 80 SER H H 77 7.614 7.725 -0.111 1
1 1004 . 12 1 1 A 80 80 SER HA H 77 4.724 4.982 -0.258 1
1 1007 . 12 1 1 A 80 80 SER C C 77 172.545 172.294 0.251 1
1 1008 . 12 1 1 A 80 80 SER CA C 77 57.849 57.753 0.096 1
1 1009 . 12 1 1 A 80 80 SER CB C 77 64.733 67.119 -2.386 1
1 1010 . 12 1 1 A 80 80 SER N N 77 113.369 114.239 -0.870 1
1 1011 . 12 1 1 A 81 81 VAL H H 78 8.814 8.737 0.077 1
1 1012 . 12 1 1 A 81 81 VAL HA H 78 5.102 5.068 0.034 1
1 1020 . 12 1 1 A 81 81 VAL C C 78 173.761 174.567 -0.806 1
1 1021 . 12 1 1 A 81 81 VAL CA C 78 61.004 59.807 1.197 1
1 1022 . 12 1 1 A 81 81 VAL CB C 78 34.638 35.751 -1.113 1
1 1025 . 12 1 1 A 81 81 VAL N N 78 123.792 121.229 2.563 1
1 1026 . 12 1 1 A 82 82 GLY H H 79 8.628 8.653 -0.025 1
1 1027 . 12 1 1 A 82 82 GLY HA2 H 79 4.365 4.356 0.009 1
1 1028 . 12 1 1 A 82 82 GLY HA3 H 79 4.214 4.533 -0.319 1
1 1029 . 12 1 1 A 82 82 GLY C C 79 171.201 172.366 -1.165 1
1 1030 . 12 1 1 A 82 82 GLY CA C 79 45.606 45.275 0.331 1
1 1031 . 12 1 1 A 82 82 GLY N N 79 111.112 113.546 -2.434 1
1 1032 . 12 1 1 A 83 83 LYS H H 80 8.670 8.281 0.389 1
1 1033 . 12 1 1 A 83 83 LYS HA H 80 4.205 4.574 -0.369 1
1 1042 . 12 1 1 A 83 83 LYS C C 80 176.080 175.600 0.480 1
1 1043 . 12 1 1 A 83 83 LYS CA C 80 55.451 55.200 0.251 1
1 1044 . 12 1 1 A 83 83 LYS CB C 80 32.665 31.818 0.847 1
1 1048 . 12 1 1 A 83 83 LYS N N 80 120.943 123.160 -2.217 1
1 1049 . 12 1 1 A 84 84 ALA H H 81 8.049 8.763 -0.714 1
1 1050 . 12 1 1 A 84 84 ALA HA H 81 4.182 4.477 -0.295 1
1 1054 . 12 1 1 A 84 84 ALA C C 81 176.941 177.137 -0.196 1
1 1055 . 12 1 1 A 84 84 ALA CA C 81 52.248 52.010 0.238 1
1 1056 . 12 1 1 A 84 84 ALA CB C 81 19.450 19.582 -0.132 1
1 1057 . 12 1 1 A 84 84 ALA N N 81 125.262 128.282 -3.020 1
1 1058 . 12 1 1 A 85 85 GLU H H 82 8.460 9.548 -1.088 1
1 1059 . 12 1 1 A 85 85 GLU HA H 82 4.230 4.579 -0.349 1
1 1064 . 12 1 1 A 85 85 GLU C C 82 176.599 177.222 -0.623 1
1 1065 . 12 1 1 A 85 85 GLU CA C 82 56.446 57.852 -1.406 1
1 1066 . 12 1 1 A 85 85 GLU CB C 82 29.853 32.913 -3.060 1
1 1068 . 12 1 1 A 85 85 GLU N N 82 119.296 124.174 -4.878 1
1 1069 . 12 1 1 A 86 86 ALA H H 83 8.403 8.631 -0.228 1
1 1070 . 12 1 1 A 86 86 ALA HA H 83 4.149 4.551 -0.402 1
1 1074 . 12 1 1 A 86 86 ALA C C 83 177.777 177.573 0.204 1
1 1075 . 12 1 1 A 86 86 ALA CA C 83 53.448 53.000 0.448 1
1 1076 . 12 1 1 A 86 86 ALA CB C 83 18.887 20.048 -1.161 1
1 1077 . 12 1 1 A 86 86 ALA N N 83 124.833 119.369 5.464 1
1 1078 . 12 1 1 A 87 87 SER H H 84 8.301 8.165 0.136 1
1 1079 . 12 1 1 A 87 87 SER HA H 84 4.297 4.695 -0.398 1
1 1082 . 12 1 1 A 87 87 SER C C 84 175.370 175.991 -0.621 1
1 1083 . 12 1 1 A 87 87 SER N N 84 113.395 112.798 0.597 1
1 1084 . 12 1 1 A 88 88 GLU H H 85 8.271 8.578 -0.307 1
1 1085 . 12 1 1 A 88 88 GLU HA H 85 4.239 4.153 0.086 1
1 1090 . 12 1 1 A 88 88 GLU C C 85 177.081 178.464 -1.383 1
1 1091 . 12 1 1 A 88 88 GLU CA C 85 57.140 59.175 -2.035 1
1 1092 . 12 1 1 A 88 88 GLU CB C 85 29.856 29.009 0.847 1
1 1094 . 12 1 1 A 88 88 GLU N N 85 122.554 118.875 3.679 1
1 1095 . 12 1 1 A 89 89 VAL H H 86 7.833 7.795 0.038 1
1 1096 . 12 1 1 A 89 89 VAL HA H 86 3.895 3.864 0.031 1
1 1104 . 12 1 1 A 89 89 VAL C C 86 177.172 177.904 -0.732 1
1 1105 . 12 1 1 A 89 89 VAL CA C 86 63.045 65.738 -2.693 1
1 1106 . 12 1 1 A 89 89 VAL CB C 86 32.107 31.501 0.606 1
1 1109 . 12 1 1 A 89 89 VAL N N 86 119.916 117.550 2.366 1
1 1110 . 12 1 1 A 90 90 TYR H H 87 8.142 8.190 -0.048 1
1 1111 . 12 1 1 A 90 90 TYR HA H 87 4.479 4.280 0.199 1
1 1118 . 12 1 1 A 90 90 TYR C C 87 176.637 178.401 -1.764 1
1 1119 . 12 1 1 A 90 90 TYR CA C 87 58.545 60.673 -2.128 1
1 1120 . 12 1 1 A 90 90 TYR CB C 87 37.732 37.565 0.167 1
1 1121 . 12 1 1 A 90 90 TYR N N 87 122.303 122.008 0.295 1
1 1122 . 12 1 1 A 91 91 SER H H 88 8.090 8.668 -0.578 1
1 1123 . 12 1 1 A 91 91 SER HA H 88 4.335 4.207 0.128 1
1 1126 . 12 1 1 A 91 91 SER C C 88 176.130 175.977 0.153 1
1 1127 . 12 1 1 A 91 91 SER CA C 88 59.899 61.943 -2.044 1
1 1128 . 12 1 1 A 91 91 SER CB C 88 62.483 62.742 -0.259 1
1 1129 . 12 1 1 A 91 91 SER N N 88 115.828 115.968 -0.140 1
1 1130 . 12 1 1 A 92 92 GLU H H 89 8.234 8.036 0.198 1
1 1131 . 12 1 1 A 92 92 GLU HA H 89 4.213 4.064 0.149 1
1 1136 . 12 1 1 A 92 92 GLU C C 89 177.600 178.296 -0.696 1
1 1137 . 12 1 1 A 92 92 GLU CA C 89 57.701 59.450 -1.749 1
1 1138 . 12 1 1 A 92 92 GLU CB C 89 29.575 29.517 0.058 1
1 1140 . 12 1 1 A 92 92 GLU N N 89 121.225 122.024 -0.799 1
1 1141 . 12 1 1 A 93 93 ALA H H 90 7.960 8.125 -0.165 1
1 1142 . 12 1 1 A 93 93 ALA HA H 90 4.025 4.113 -0.088 1
1 1146 . 12 1 1 A 93 93 ALA C C 90 178.550 179.759 -1.209 1
1 1147 . 12 1 1 A 93 93 ALA CA C 90 54.225 55.138 -0.913 1
1 1148 . 12 1 1 A 93 93 ALA CB C 90 18.325 18.430 -0.105 1
1 1149 . 12 1 1 A 93 93 ALA N N 90 122.055 122.329 -0.274 1
1 1150 . 12 1 1 A 94 94 VAL H H 91 7.799 8.471 -0.672 1
1 1151 . 12 1 1 A 94 94 VAL HA H 91 3.818 3.840 -0.022 1
1 1159 . 12 1 1 A 94 94 VAL CA C 91 64.167 65.317 -1.150 1
1 1160 . 12 1 1 A 94 94 VAL CB C 91 31.825 31.204 0.621 1
1 1163 . 12 1 1 A 94 94 VAL N N 91 115.727 117.193 -1.466 1
1 1164 . 12 1 1 A 95 95 LYS H H 92 7.764 7.860 -0.096 1
1 1165 . 12 1 1 A 95 95 LYS HA H 92 4.197 4.058 0.139 1
1 1174 . 12 1 1 A 95 95 LYS C C 92 177.600 179.288 -1.688 1
1 1175 . 12 1 1 A 95 95 LYS CA C 92 57.139 59.694 -2.555 1
1 1176 . 12 1 1 A 95 95 LYS CB C 92 32.600 32.406 0.194 1
1 1180 . 12 1 1 A 95 95 LYS N N 92 120.823 122.142 -1.319 1
1 1181 . 12 1 1 A 96 96 ARG H H 93 7.970 7.886 0.084 1
1 1182 . 12 1 1 A 96 96 ARG HA H 93 4.341 4.149 0.192 1
1 1189 . 12 1 1 A 96 96 ARG C C 93 179.703 176.737 2.966 1
1 1190 . 12 1 1 A 96 96 ARG CA C 93 56.295 58.818 -2.523 1
1 1191 . 12 1 1 A 96 96 ARG CB C 93 31.400 30.297 1.103 1
1 1194 . 12 1 1 A 96 96 ARG N N 93 119.070 118.998 0.072 1
1 1195 . 12 1 1 A 97 97 ILE H H 94 8.012 7.969 0.043 1
1 1196 . 12 1 1 A 97 97 ILE HA H 94 4.216 4.250 -0.034 1
1 1206 . 12 1 1 A 97 97 ILE C C 94 175.509 175.140 0.369 1
1 1207 . 12 1 1 A 97 97 ILE CA C 94 61.362 61.132 0.230 1
1 1208 . 12 1 1 A 97 97 ILE CB C 94 38.576 36.443 2.133 1
1 1212 . 12 1 1 A 97 97 ILE N N 94 120.512 118.882 1.630 1
1 16 . 13 1 1 A 5 5 ALA H H 2 8.084 8.573 -0.489 1
1 17 . 13 1 1 A 5 5 ALA HA H 2 4.423 5.654 -1.231 1
1 21 . 13 1 1 A 5 5 ALA C C 2 176.536 175.483 1.053 1
1 22 . 13 1 1 A 5 5 ALA CA C 2 51.634 50.654 0.980 1
1 23 . 13 1 1 A 5 5 ALA CB C 2 19.439 23.773 -4.334 1
1 24 . 13 1 1 A 5 5 ALA N N 2 125.284 124.774 0.510 1
1 25 . 13 1 1 A 6 6 TYR H H 3 8.406 8.689 -0.283 1
1 26 . 13 1 1 A 6 6 TYR HA H 3 4.312 5.014 -0.702 1
1 33 . 13 1 1 A 6 6 TYR C C 3 175.433 174.740 0.693 1
1 34 . 13 1 1 A 6 6 TYR CA C 3 57.701 56.184 1.517 1
1 35 . 13 1 1 A 6 6 TYR CB C 3 39.701 42.909 -3.208 1
1 36 . 13 1 1 A 6 6 TYR N N 3 120.887 117.900 2.987 1
1 37 . 13 1 1 A 7 7 PHE H H 4 8.703 9.360 -0.657 1
1 38 . 13 1 1 A 7 7 PHE HA H 4 4.645 5.032 -0.387 1
1 45 . 13 1 1 A 7 7 PHE C C 4 173.812 174.655 -0.843 1
1 46 . 13 1 1 A 7 7 PHE CA C 4 56.853 57.606 -0.753 1
1 47 . 13 1 1 A 7 7 PHE CB C 4 40.541 41.073 -0.532 1
1 48 . 13 1 1 A 7 7 PHE N N 4 119.295 119.370 -0.075 1
1 49 . 13 1 1 A 8 8 LEU H H 5 8.255 8.699 -0.444 1
1 50 . 13 1 1 A 8 8 LEU HA H 5 4.985 5.331 -0.346 1
1 60 . 13 1 1 A 8 8 LEU C C 5 174.927 174.391 0.536 1
1 61 . 13 1 1 A 8 8 LEU CA C 5 53.544 53.357 0.187 1
1 62 . 13 1 1 A 8 8 LEU CB C 5 44.201 46.023 -1.822 1
1 66 . 13 1 1 A 8 8 LEU N N 5 124.516 122.593 1.923 1
1 67 . 13 1 1 A 9 9 ASP H H 6 9.047 8.646 0.401 1
1 68 . 13 1 1 A 9 9 ASP HA H 6 5.089 5.113 -0.024 1
1 71 . 13 1 1 A 9 9 ASP C C 6 173.216 174.199 -0.983 1
1 72 . 13 1 1 A 9 9 ASP CA C 6 52.278 53.168 -0.890 1
1 73 . 13 1 1 A 9 9 ASP CB C 6 45.326 45.074 0.252 1
1 74 . 13 1 1 A 9 9 ASP N N 6 126.171 123.472 2.699 1
1 75 . 13 1 1 A 10 10 PHE H H 7 8.891 8.760 0.131 1
1 76 . 13 1 1 A 10 10 PHE HA H 7 4.545 4.565 -0.020 1
1 83 . 13 1 1 A 10 10 PHE C C 7 175.218 174.486 0.732 1
1 84 . 13 1 1 A 10 10 PHE CA C 7 56.243 55.761 0.482 1
1 85 . 13 1 1 A 10 10 PHE CB C 7 43.638 41.992 1.646 1
1 86 . 13 1 1 A 10 10 PHE N N 7 119.178 120.294 -1.116 1
1 87 . 13 1 1 A 11 11 ASP H H 8 8.124 8.627 -0.503 1
1 88 . 13 1 1 A 11 11 ASP HA H 8 4.551 4.757 -0.206 1
1 91 . 13 1 1 A 11 11 ASP C C 8 177.157 177.226 -0.069 1
1 92 . 13 1 1 A 11 11 ASP CA C 8 54.315 54.207 0.108 1
1 93 . 13 1 1 A 11 11 ASP CB C 8 44.201 42.449 1.752 1
1 94 . 13 1 1 A 11 11 ASP N N 8 123.305 123.557 -0.252 1
1 95 . 13 1 1 A 12 12 GLU H H 9 9.197 9.014 0.183 1
1 96 . 13 1 1 A 12 12 GLU HA H 9 4.016 4.094 -0.078 1
1 101 . 13 1 1 A 12 12 GLU C C 9 178.880 178.693 0.187 1
1 102 . 13 1 1 A 12 12 GLU CA C 9 60.365 59.483 0.882 1
1 103 . 13 1 1 A 12 12 GLU CB C 9 29.670 29.375 0.295 1
1 105 . 13 1 1 A 12 12 GLU N N 9 127.082 123.037 4.045 1
1 106 . 13 1 1 A 13 13 ARG H H 10 8.949 8.289 0.660 1
1 107 . 13 1 1 A 13 13 ARG HA H 10 4.097 4.078 0.019 1
1 114 . 13 1 1 A 13 13 ARG C C 10 179.273 179.049 0.224 1
1 115 . 13 1 1 A 13 13 ARG CA C 10 58.924 58.972 -0.048 1
1 116 . 13 1 1 A 13 13 ARG CB C 10 30.138 30.238 -0.100 1
1 119 . 13 1 1 A 13 13 ARG N N 10 119.265 119.715 -0.450 1
1 120 . 13 1 1 A 14 14 ALA H H 11 7.451 8.014 -0.563 1
1 121 . 13 1 1 A 14 14 ALA HA H 11 4.685 4.189 0.496 1
1 125 . 13 1 1 A 14 14 ALA C C 11 179.564 180.274 -0.710 1
1 126 . 13 1 1 A 14 14 ALA CA C 11 53.705 55.124 -1.419 1
1 127 . 13 1 1 A 14 14 ALA CB C 11 18.325 18.046 0.279 1
1 128 . 13 1 1 A 14 14 ALA N N 11 122.421 121.692 0.729 1
1 129 . 13 1 1 A 15 15 LEU H H 12 8.683 8.430 0.253 1
1 130 . 13 1 1 A 15 15 LEU HA H 12 3.877 3.821 0.056 1
1 140 . 13 1 1 A 15 15 LEU C C 12 178.550 179.370 -0.820 1
1 141 . 13 1 1 A 15 15 LEU CA C 12 57.139 57.731 -0.592 1
1 142 . 13 1 1 A 15 15 LEU CB C 12 41.103 41.064 0.039 1
1 146 . 13 1 1 A 15 15 LEU N N 12 120.118 118.774 1.344 1
1 147 . 13 1 1 A 16 16 LYS H H 13 7.345 8.189 -0.844 1
1 148 . 13 1 1 A 16 16 LYS HA H 13 3.995 3.912 0.083 1
1 157 . 13 1 1 A 16 16 LYS C C 13 179.678 179.838 -0.160 1
1 158 . 13 1 1 A 16 16 LYS CA C 13 59.700 60.466 -0.766 1
1 159 . 13 1 1 A 16 16 LYS CB C 13 32.388 32.084 0.304 1
1 163 . 13 1 1 A 16 16 LYS N N 13 117.725 117.717 0.008 1
1 164 . 13 1 1 A 17 17 GLU H H 14 7.453 7.861 -0.408 1
1 165 . 13 1 1 A 17 17 GLU HA H 14 4.016 4.106 -0.090 1
1 170 . 13 1 1 A 17 17 GLU C C 14 179.589 178.965 0.624 1
1 171 . 13 1 1 A 17 17 GLU CA C 14 58.841 59.122 -0.281 1
1 172 . 13 1 1 A 17 17 GLU CB C 14 29.298 29.407 -0.109 1
1 174 . 13 1 1 A 17 17 GLU N N 14 118.019 119.629 -1.610 1
1 175 . 13 1 1 A 18 18 TRP H H 15 9.081 8.585 0.496 1
1 176 . 13 1 1 A 18 18 TRP HA H 15 4.174 4.235 -0.061 1
1 183 . 13 1 1 A 18 18 TRP C C 15 178.360 178.928 -0.568 1
1 184 . 13 1 1 A 18 18 TRP CA C 15 59.938 61.072 -1.134 1
1 185 . 13 1 1 A 18 18 TRP CB C 15 30.241 29.426 0.815 1
1 186 . 13 1 1 A 18 18 TRP N N 15 122.628 121.834 0.794 1
1 188 . 13 1 1 A 19 19 ARG H H 16 8.197 8.394 -0.197 1
1 189 . 13 1 1 A 19 19 ARG HA H 16 3.863 4.103 -0.240 1
1 196 . 13 1 1 A 19 19 ARG C C 16 177.030 179.067 -2.037 1
1 197 . 13 1 1 A 19 19 ARG CA C 16 58.516 58.927 -0.411 1
1 198 . 13 1 1 A 19 19 ARG CB C 16 30.300 29.610 0.690 1
1 201 . 13 1 1 A 19 19 ARG N N 16 115.582 118.308 -2.726 1
1 202 . 13 1 1 A 20 20 LYS H H 17 7.308 7.536 -0.228 1
1 203 . 13 1 1 A 20 20 LYS HA H 17 4.238 4.119 0.119 1
1 212 . 13 1 1 A 20 20 LYS C C 17 177.043 177.244 -0.201 1
1 213 . 13 1 1 A 20 20 LYS CA C 17 56.270 58.997 -2.727 1
1 214 . 13 1 1 A 20 20 LYS CB C 17 32.300 32.163 0.137 1
1 218 . 13 1 1 A 20 20 LYS N N 17 116.689 119.701 -3.012 1
1 219 . 13 1 1 A 21 21 LEU H H 18 6.998 7.777 -0.779 1
1 220 . 13 1 1 A 21 21 LEU HA H 18 4.026 4.061 -0.035 1
1 230 . 13 1 1 A 21 21 LEU C C 18 177.676 177.251 0.425 1
1 231 . 13 1 1 A 21 21 LEU CA C 18 54.567 55.355 -0.788 1
1 232 . 13 1 1 A 21 21 LEU CB C 18 43.357 42.270 1.087 1
1 236 . 13 1 1 A 21 21 LEU N N 18 118.778 120.419 -1.641 1
1 237 . 13 1 1 A 22 22 GLY H H 19 8.370 8.376 -0.006 1
1 238 . 13 1 1 A 22 22 GLY HA2 H 19 4.064 3.945 0.119 1
1 239 . 13 1 1 A 22 22 GLY HA3 H 19 3.845 3.968 -0.123 1
1 240 . 13 1 1 A 22 22 GLY C C 19 174.813 174.845 -0.032 1
1 241 . 13 1 1 A 22 22 GLY CA C 19 45.045 45.375 -0.330 1
1 242 . 13 1 1 A 22 22 GLY N N 19 107.490 109.920 -2.430 1
1 243 . 13 1 1 A 23 23 SER H H 20 8.675 8.722 -0.047 1
1 244 . 13 1 1 A 23 23 SER HA H 20 4.288 3.949 0.339 1
1 247 . 13 1 1 A 23 23 SER CA C 20 58.981 62.599 -3.618 1
1 248 . 13 1 1 A 23 23 SER CB C 20 63.045 62.630 0.415 1
1 249 . 13 1 1 A 23 23 SER N N 20 117.877 117.748 0.129 1
1 250 . 13 1 1 A 24 24 THR H H 21 8.216 7.847 0.369 1
1 251 . 13 1 1 A 24 24 THR HA H 21 3.983 3.936 0.047 1
1 256 . 13 1 1 A 24 24 THR C C 21 176.510 176.700 -0.190 1
1 257 . 13 1 1 A 24 24 THR CA C 21 65.858 66.245 -0.387 1
1 258 . 13 1 1 A 24 24 THR CB C 21 67.941 68.067 -0.126 1
1 260 . 13 1 1 A 24 24 THR N N 21 115.680 117.402 -1.722 1
1 261 . 13 1 1 A 25 25 VAL H H 22 7.143 7.939 -0.796 1
1 262 . 13 1 1 A 25 25 VAL HA H 22 3.545 3.375 0.170 1
1 270 . 13 1 1 A 25 25 VAL C C 22 177.613 177.565 0.048 1
1 271 . 13 1 1 A 25 25 VAL CA C 22 65.577 66.665 -1.088 1
1 272 . 13 1 1 A 25 25 VAL CB C 22 31.544 31.113 0.431 1
1 275 . 13 1 1 A 25 25 VAL N N 22 122.443 121.741 0.702 1
1 276 . 13 1 1 A 26 26 ARG H H 23 7.840 8.293 -0.453 1
1 277 . 13 1 1 A 26 26 ARG HA H 23 3.156 3.553 -0.397 1
1 284 . 13 1 1 A 26 26 ARG C C 23 177.790 177.911 -0.121 1
1 285 . 13 1 1 A 26 26 ARG CA C 23 59.951 58.344 1.607 1
1 286 . 13 1 1 A 26 26 ARG CB C 23 29.590 28.834 0.756 1
1 289 . 13 1 1 A 26 26 ARG N N 23 119.146 119.677 -0.531 1
1 290 . 13 1 1 A 27 27 GLU H H 24 8.159 8.345 -0.186 1
1 291 . 13 1 1 A 27 27 GLU HA H 24 3.970 4.108 -0.138 1
1 296 . 13 1 1 A 27 27 GLU C C 24 179.577 179.364 0.213 1
1 297 . 13 1 1 A 27 27 GLU CA C 24 59.400 59.168 0.232 1
1 298 . 13 1 1 A 27 27 GLU CB C 24 29.013 29.156 -0.143 1
1 300 . 13 1 1 A 27 27 GLU N N 24 116.672 118.741 -2.069 1
1 301 . 13 1 1 A 28 28 GLN H H 25 7.693 7.795 -0.102 1
1 302 . 13 1 1 A 28 28 GLN HA H 25 4.094 4.069 0.025 1
1 309 . 13 1 1 A 28 28 GLN C C 25 179.919 179.395 0.524 1
1 310 . 13 1 1 A 28 28 GLN CA C 25 59.108 58.676 0.432 1
1 311 . 13 1 1 A 28 28 GLN CB C 25 29.575 28.102 1.473 1
1 313 . 13 1 1 A 28 28 GLN N N 25 118.482 119.816 -1.334 1
1 315 . 13 1 1 A 29 29 LEU H H 26 8.441 8.045 0.396 1
1 316 . 13 1 1 A 29 29 LEU HA H 26 4.096 4.128 -0.032 1
1 326 . 13 1 1 A 29 29 LEU C C 26 178.804 179.159 -0.355 1
1 327 . 13 1 1 A 29 29 LEU CA C 26 57.983 58.076 -0.093 1
1 328 . 13 1 1 A 29 29 LEU CB C 26 42.513 41.281 1.232 1
1 332 . 13 1 1 A 29 29 LEU N N 26 119.907 120.543 -0.636 1
1 333 . 13 1 1 A 30 30 LYS H H 27 9.233 8.821 0.412 1
1 334 . 13 1 1 A 30 30 LYS HA H 27 4.076 4.224 -0.148 1
1 343 . 13 1 1 A 30 30 LYS C C 27 178.056 178.599 -0.543 1
1 344 . 13 1 1 A 30 30 LYS CA C 27 60.233 59.911 0.322 1
1 345 . 13 1 1 A 30 30 LYS CB C 27 32.103 32.423 -0.320 1
1 349 . 13 1 1 A 30 30 LYS N N 27 120.508 120.593 -0.085 1
1 350 . 13 1 1 A 31 31 LYS H H 28 7.698 8.031 -0.333 1
1 351 . 13 1 1 A 31 31 LYS HA H 28 4.056 4.073 -0.017 1
1 360 . 13 1 1 A 31 31 LYS C C 28 179.539 179.478 0.061 1
1 361 . 13 1 1 A 31 31 LYS CA C 28 59.596 59.812 -0.216 1
1 362 . 13 1 1 A 31 31 LYS CB C 28 32.400 32.169 0.231 1
1 366 . 13 1 1 A 31 31 LYS N N 28 117.412 117.846 -0.434 1
1 367 . 13 1 1 A 32 32 LYS H H 29 7.347 7.550 -0.203 1
1 368 . 13 1 1 A 32 32 LYS HA H 29 4.230 4.069 0.161 1
1 377 . 13 1 1 A 32 32 LYS C C 29 179.057 179.604 -0.547 1
1 378 . 13 1 1 A 32 32 LYS CA C 29 57.553 59.466 -1.913 1
1 379 . 13 1 1 A 32 32 LYS CB C 29 32.103 32.222 -0.119 1
1 383 . 13 1 1 A 32 32 LYS N N 29 116.983 119.783 -2.800 1
1 384 . 13 1 1 A 33 33 LEU H H 30 8.663 8.114 0.549 1
1 385 . 13 1 1 A 33 33 LEU HA H 30 3.844 3.954 -0.110 1
1 395 . 13 1 1 A 33 33 LEU C C 30 177.765 178.768 -1.003 1
1 396 . 13 1 1 A 33 33 LEU CA C 30 57.420 57.906 -0.486 1
1 397 . 13 1 1 A 33 33 LEU CB C 30 42.513 41.743 0.770 1
1 401 . 13 1 1 A 33 33 LEU N N 30 121.134 120.371 0.763 1
1 402 . 13 1 1 A 34 34 VAL H H 31 8.185 8.230 -0.045 1
1 403 . 13 1 1 A 34 34 VAL HA H 31 3.548 3.500 0.048 1
1 411 . 13 1 1 A 34 34 VAL C C 31 178.639 177.773 0.866 1
1 412 . 13 1 1 A 34 34 VAL CA C 31 66.702 66.942 -0.240 1
1 413 . 13 1 1 A 34 34 VAL CB C 31 31.544 31.065 0.479 1
1 416 . 13 1 1 A 34 34 VAL N N 31 117.076 119.025 -1.949 1
1 417 . 13 1 1 A 35 35 GLU H H 32 7.143 8.189 -1.046 1
1 418 . 13 1 1 A 35 35 GLU HA H 32 4.093 4.078 0.015 1
1 423 . 13 1 1 A 35 35 GLU C C 32 179.450 178.648 0.802 1
1 424 . 13 1 1 A 35 35 GLU CA C 32 58.264 59.164 -0.900 1
1 425 . 13 1 1 A 35 35 GLU CB C 32 29.575 29.238 0.337 1
1 427 . 13 1 1 A 35 35 GLU N N 32 117.290 119.380 -2.090 1
1 428 . 13 1 1 A 36 36 VAL H H 33 7.659 8.322 -0.663 1
1 429 . 13 1 1 A 36 36 VAL HA H 33 3.774 3.819 -0.045 1
1 437 . 13 1 1 A 36 36 VAL C C 33 176.929 177.627 -0.698 1
1 438 . 13 1 1 A 36 36 VAL CA C 33 63.889 65.033 -1.144 1
1 439 . 13 1 1 A 36 36 VAL CB C 33 31.825 31.168 0.657 1
1 442 . 13 1 1 A 36 36 VAL N N 33 118.056 119.701 -1.645 1
1 443 . 13 1 1 A 37 37 LEU H H 34 7.679 7.807 -0.128 1
1 444 . 13 1 1 A 37 37 LEU HA H 34 3.619 3.855 -0.236 1
1 454 . 13 1 1 A 37 37 LEU C C 34 177.968 179.637 -1.669 1
1 455 . 13 1 1 A 37 37 LEU CA C 34 57.420 57.201 0.219 1
1 456 . 13 1 1 A 37 37 LEU CB C 34 40.263 41.441 -1.178 1
1 460 . 13 1 1 A 37 37 LEU N N 34 116.847 121.350 -4.503 1
1 461 . 13 1 1 A 38 38 GLU H H 35 7.238 8.534 -1.296 1
1 462 . 13 1 1 A 38 38 GLU HA H 35 4.295 4.579 -0.284 1
1 467 . 13 1 1 A 38 38 GLU C C 35 177.853 176.804 1.049 1
1 468 . 13 1 1 A 38 38 GLU CA C 35 57.900 58.372 -0.472 1
1 469 . 13 1 1 A 38 38 GLU CB C 35 30.138 28.479 1.659 1
1 471 . 13 1 1 A 38 38 GLU N N 35 113.881 117.006 -3.125 1
1 472 . 13 1 1 A 39 39 SER H H 36 7.101 8.084 -0.983 1
1 473 . 13 1 1 A 39 39 SER HA H 36 4.518 4.979 -0.461 1
1 476 . 13 1 1 A 39 39 SER CA C 36 55.553 55.605 -0.052 1
1 477 . 13 1 1 A 39 39 SER CB C 36 61.920 63.348 -1.428 1
1 478 . 13 1 1 A 39 39 SER N N 36 109.128 115.849 -6.721 1
1 479 . 13 1 1 A 40 40 PRO HA H 37 4.363 4.344 0.019 1
1 486 . 13 1 1 A 40 40 PRO C C 37 177.879 176.981 0.898 1
1 487 . 13 1 1 A 40 40 PRO CA C 37 64.705 63.597 1.108 1
1 488 . 13 1 1 A 40 40 PRO CB C 37 32.669 32.059 0.610 1
1 491 . 13 1 1 A 41 41 ARG H H 38 8.299 8.198 0.101 1
1 492 . 13 1 1 A 41 41 ARG HA H 38 3.183 4.185 -1.002 1
1 499 . 13 1 1 A 41 41 ARG C C 38 174.217 175.570 -1.353 1
1 500 . 13 1 1 A 41 41 ARG CA C 38 56.014 55.860 0.154 1
1 501 . 13 1 1 A 41 41 ARG CB C 38 29.571 29.791 -0.220 1
1 504 . 13 1 1 A 41 41 ARG N N 38 121.121 115.397 5.724 1
1 505 . 13 1 1 A 42 42 ILE H H 39 5.995 7.376 -1.381 1
1 506 . 13 1 1 A 42 42 ILE HA H 39 4.177 4.369 -0.192 1
1 516 . 13 1 1 A 42 42 ILE C C 39 176.295 177.349 -1.054 1
1 517 . 13 1 1 A 42 42 ILE CA C 39 59.389 61.577 -2.188 1
1 518 . 13 1 1 A 42 42 ILE CB C 39 39.138 36.777 2.361 1
1 522 . 13 1 1 A 42 42 ILE N N 39 128.247 122.243 6.004 1
1 523 . 13 1 1 A 43 43 GLU H H 40 8.893 8.936 -0.043 1
1 524 . 13 1 1 A 43 43 GLU HA H 40 4.174 4.086 0.088 1
1 529 . 13 1 1 A 43 43 GLU C C 40 178.918 178.345 0.573 1
1 530 . 13 1 1 A 43 43 GLU CA C 40 60.336 58.938 1.398 1
1 531 . 13 1 1 A 43 43 GLU CB C 40 29.100 28.956 0.144 1
1 533 . 13 1 1 A 43 43 GLU N N 40 130.055 127.633 2.422 1
1 534 . 13 1 1 A 44 44 ALA H H 41 8.851 7.879 0.972 1
1 535 . 13 1 1 A 44 44 ALA HA H 41 4.222 4.126 0.096 1
1 539 . 13 1 1 A 44 44 ALA C C 41 178.069 178.276 -0.207 1
1 540 . 13 1 1 A 44 44 ALA CA C 41 54.148 54.124 0.024 1
1 541 . 13 1 1 A 44 44 ALA CB C 41 18.606 18.295 0.311 1
1 542 . 13 1 1 A 44 44 ALA N N 41 119.773 122.677 -2.904 1
1 543 . 13 1 1 A 45 45 ASN H H 42 8.176 8.182 -0.006 1
1 544 . 13 1 1 A 45 45 ASN HA H 42 5.046 4.803 0.243 1
1 549 . 13 1 1 A 45 45 ASN C C 42 174.521 175.647 -1.126 1
1 550 . 13 1 1 A 45 45 ASN CA C 42 51.495 53.322 -1.827 1
1 551 . 13 1 1 A 45 45 ASN CB C 42 38.853 39.269 -0.416 1
1 552 . 13 1 1 A 45 45 ASN N N 42 114.425 114.552 -0.127 1
1 554 . 13 1 1 A 46 46 LYS H H 43 7.524 7.326 0.198 1
1 555 . 13 1 1 A 46 46 LYS HA H 43 3.769 4.068 -0.299 1
1 564 . 13 1 1 A 46 46 LYS C C 43 176.143 175.943 0.200 1
1 565 . 13 1 1 A 46 46 LYS CA C 43 56.858 56.348 0.510 1
1 566 . 13 1 1 A 46 46 LYS CB C 43 33.232 32.617 0.615 1
1 570 . 13 1 1 A 46 46 LYS N N 43 122.393 120.639 1.754 1
1 571 . 13 1 1 A 47 47 LEU H H 44 7.982 8.689 -0.707 1
1 572 . 13 1 1 A 47 47 LEU HA H 44 4.374 4.371 0.003 1
1 582 . 13 1 1 A 47 47 LEU C C 44 176.143 176.253 -0.110 1
1 583 . 13 1 1 A 47 47 LEU CA C 44 53.746 54.477 -0.731 1
1 584 . 13 1 1 A 47 47 LEU CB C 44 41.951 42.242 -0.291 1
1 588 . 13 1 1 A 47 47 LEU N N 44 127.624 123.405 4.219 1
1 589 . 13 1 1 A 48 48 ARG H H 45 8.549 8.699 -0.150 1
1 590 . 13 1 1 A 48 48 ARG HA H 45 4.346 4.031 0.315 1
1 597 . 13 1 1 A 48 48 ARG CA C 45 55.800 57.898 -2.098 1
1 598 . 13 1 1 A 48 48 ARG CB C 45 31.263 30.132 1.131 1
1 601 . 13 1 1 A 48 48 ARG N N 45 125.873 124.001 1.872 1
1 602 . 13 1 1 A 49 49 GLY H H 46 8.800 8.744 0.056 1
1 603 . 13 1 1 A 49 49 GLY HA2 H 46 3.760 3.940 -0.180 1
1 604 . 13 1 1 A 49 49 GLY HA3 H 46 4.070 3.940 0.130 1
1 605 . 13 1 1 A 49 49 GLY C C 46 173.482 173.815 -0.333 1
1 606 . 13 1 1 A 49 49 GLY CA C 46 45.326 46.118 -0.792 1
1 607 . 13 1 1 A 49 49 GLY N N 46 111.980 114.203 -2.223 1
1 608 . 13 1 1 A 50 50 MET H H 47 7.272 7.850 -0.578 1
1 609 . 13 1 1 A 50 50 MET HA H 47 4.921 4.919 0.002 1
1 617 . 13 1 1 A 50 50 MET CA C 47 52.049 53.072 -1.023 1
1 618 . 13 1 1 A 50 50 MET CB C 47 33.794 35.855 -2.061 1
1 621 . 13 1 1 A 50 50 MET N N 47 119.077 118.822 0.255 1
1 622 . 13 1 1 A 51 51 PRO HA H 48 4.294 4.375 -0.081 1
1 629 . 13 1 1 A 51 51 PRO C C 48 176.460 176.917 -0.457 1
1 630 . 13 1 1 A 51 51 PRO CA C 48 63.879 63.516 0.363 1
1 631 . 13 1 1 A 51 51 PRO CB C 48 31.825 31.244 0.581 1
1 634 . 13 1 1 A 52 52 ASP H H 49 8.661 8.473 0.188 1
1 635 . 13 1 1 A 52 52 ASP HA H 49 4.487 4.158 0.329 1
1 638 . 13 1 1 A 52 52 ASP C C 49 174.065 175.141 -1.076 1
1 639 . 13 1 1 A 52 52 ASP CA C 49 56.042 55.243 0.799 1
1 640 . 13 1 1 A 52 52 ASP CB C 49 41.107 39.745 1.362 1
1 641 . 13 1 1 A 52 52 ASP N N 49 116.477 116.843 -0.366 1
1 642 . 13 1 1 A 53 53 CYS H H 50 7.575 7.815 -0.240 1
1 643 . 13 1 1 A 53 53 CYS HA H 50 5.835 5.363 0.472 1
1 646 . 13 1 1 A 53 53 CYS C C 50 173.444 173.415 0.029 1
1 647 . 13 1 1 A 53 53 CYS CA C 50 58.110 57.980 0.130 1
1 648 . 13 1 1 A 53 53 CYS CB C 50 30.700 29.677 1.023 1
1 649 . 13 1 1 A 53 53 CYS N N 50 114.414 117.447 -3.033 1
1 650 . 13 1 1 A 54 54 TYR H H 51 8.806 9.373 -0.567 1
1 651 . 13 1 1 A 54 54 TYR HA H 51 4.737 5.433 -0.696 1
1 658 . 13 1 1 A 54 54 TYR C C 51 172.950 174.182 -1.232 1
1 659 . 13 1 1 A 54 54 TYR CA C 51 56.066 56.360 -0.294 1
1 660 . 13 1 1 A 54 54 TYR CB C 51 42.794 43.303 -0.509 1
1 661 . 13 1 1 A 54 54 TYR N N 51 120.858 120.812 0.046 1
1 662 . 13 1 1 A 55 55 LYS H H 52 8.425 8.601 -0.176 1
1 663 . 13 1 1 A 55 55 LYS HA H 52 5.687 5.198 0.489 1
1 672 . 13 1 1 A 55 55 LYS C C 52 176.498 174.763 1.735 1
1 673 . 13 1 1 A 55 55 LYS CA C 52 53.291 54.273 -0.982 1
1 674 . 13 1 1 A 55 55 LYS CB C 52 36.325 36.193 0.132 1
1 678 . 13 1 1 A 55 55 LYS N N 52 115.794 117.611 -1.817 1
1 679 . 13 1 1 A 56 56 ILE H H 53 9.187 8.950 0.237 1
1 680 . 13 1 1 A 56 56 ILE HA H 53 4.416 5.025 -0.609 1
1 690 . 13 1 1 A 56 56 ILE C C 53 174.572 175.157 -0.585 1
1 691 . 13 1 1 A 56 56 ILE CA C 53 60.971 59.522 1.449 1
1 692 . 13 1 1 A 56 56 ILE CB C 53 41.388 41.169 0.219 1
1 696 . 13 1 1 A 56 56 ILE N N 53 120.315 122.240 -1.925 1
1 697 . 13 1 1 A 57 57 LYS H H 54 8.755 9.009 -0.254 1
1 698 . 13 1 1 A 57 57 LYS HA H 54 5.043 5.234 -0.191 1
1 707 . 13 1 1 A 57 57 LYS C C 54 175.193 175.108 0.085 1
1 708 . 13 1 1 A 57 57 LYS CA C 54 54.359 54.710 -0.351 1
1 709 . 13 1 1 A 57 57 LYS CB C 54 35.482 35.261 0.221 1
1 713 . 13 1 1 A 57 57 LYS N N 54 125.616 125.110 0.506 1
1 714 . 13 1 1 A 58 58 LEU H H 55 8.449 9.489 -1.040 1
1 715 . 13 1 1 A 58 58 LEU HA H 55 4.796 4.575 0.221 1
1 725 . 13 1 1 A 58 58 LEU CA C 55 53.201 54.429 -1.228 1
1 726 . 13 1 1 A 58 58 LEU CB C 55 41.669 41.907 -0.238 1
1 730 . 13 1 1 A 58 58 LEU N N 55 124.214 126.298 -2.084 1
1 731 . 13 1 1 A 59 59 ARG HA H 56 4.008 4.532 -0.524 1
1 738 . 13 1 1 A 59 59 ARG CA C 56 57.420 55.539 1.881 1
1 739 . 13 1 1 A 59 59 ARG CB C 56 29.575 28.768 0.807 1
1 742 . 13 1 1 A 60 60 SER HA H 57 4.246 4.634 -0.388 1
1 745 . 13 1 1 A 60 60 SER CA C 57 59.798 59.402 0.396 1
1 746 . 13 1 1 A 60 60 SER CB C 57 63.045 65.345 -2.300 1
1 747 . 13 1 1 A 61 61 SER HA H 58 4.616 4.674 -0.058 1
1 750 . 13 1 1 A 61 61 SER C C 58 175.155 175.528 -0.373 1
1 751 . 13 1 1 A 61 61 SER CA C 58 58.010 58.982 -0.972 1
1 752 . 13 1 1 A 61 61 SER CB C 58 64.452 65.378 -0.926 1
1 753 . 13 1 1 A 62 62 GLY H H 59 8.217 8.568 -0.351 1
1 754 . 13 1 1 A 62 62 GLY HA2 H 59 3.926 3.883 0.043 1
1 755 . 13 1 1 A 62 62 GLY HA3 H 59 4.010 3.907 0.103 1
1 756 . 13 1 1 A 62 62 GLY C C 59 174.407 174.782 -0.375 1
1 757 . 13 1 1 A 62 62 GLY CA C 59 45.888 45.803 0.085 1
1 758 . 13 1 1 A 62 62 GLY N N 59 109.272 110.345 -1.073 1
1 759 . 13 1 1 A 63 63 TYR H H 60 7.463 8.074 -0.611 1
1 760 . 13 1 1 A 63 63 TYR HA H 60 4.629 4.544 0.085 1
1 767 . 13 1 1 A 63 63 TYR C C 60 175.117 175.110 0.007 1
1 768 . 13 1 1 A 63 63 TYR CA C 60 59.857 58.172 1.685 1
1 769 . 13 1 1 A 63 63 TYR CB C 60 41.388 39.693 1.695 1
1 770 . 13 1 1 A 63 63 TYR N N 60 117.638 119.614 -1.976 1
1 771 . 13 1 1 A 64 64 ARG H H 61 9.261 9.137 0.124 1
1 772 . 13 1 1 A 64 64 ARG HA H 61 5.458 5.524 -0.066 1
1 779 . 13 1 1 A 64 64 ARG C C 61 173.596 174.794 -1.198 1
1 780 . 13 1 1 A 64 64 ARG CA C 61 53.880 54.444 -0.564 1
1 781 . 13 1 1 A 64 64 ARG CB C 61 34.357 33.772 0.585 1
1 784 . 13 1 1 A 64 64 ARG N N 61 119.605 121.116 -1.511 1
1 785 . 13 1 1 A 65 65 LEU H H 62 9.085 9.113 -0.028 1
1 786 . 13 1 1 A 65 65 LEU HA H 62 5.432 5.232 0.200 1
1 796 . 13 1 1 A 65 65 LEU C C 62 174.534 174.400 0.134 1
1 797 . 13 1 1 A 65 65 LEU CA C 62 53.795 53.999 -0.204 1
1 798 . 13 1 1 A 65 65 LEU CB C 62 46.732 46.205 0.527 1
1 802 . 13 1 1 A 65 65 LEU N N 62 125.189 124.487 0.702 1
1 803 . 13 1 1 A 66 66 VAL H H 63 9.058 9.149 -0.091 1
1 804 . 13 1 1 A 66 66 VAL HA H 63 4.991 5.005 -0.014 1
1 812 . 13 1 1 A 66 66 VAL C C 63 174.699 175.112 -0.413 1
1 813 . 13 1 1 A 66 66 VAL CA C 63 60.795 60.758 0.037 1
1 814 . 13 1 1 A 66 66 VAL CB C 63 34.075 33.312 0.763 1
1 817 . 13 1 1 A 66 66 VAL N N 63 125.140 125.806 -0.666 1
1 818 . 13 1 1 A 67 67 TYR H H 64 9.091 8.747 0.344 1
1 819 . 13 1 1 A 67 67 TYR HA H 64 5.659 5.584 0.075 1
1 826 . 13 1 1 A 67 67 TYR C C 64 170.910 172.996 -2.086 1
1 827 . 13 1 1 A 67 67 TYR CA C 64 54.286 55.129 -0.843 1
1 828 . 13 1 1 A 67 67 TYR CB C 64 41.951 41.970 -0.019 1
1 829 . 13 1 1 A 67 67 TYR N N 64 124.150 123.993 0.157 1
1 830 . 13 1 1 A 68 68 GLN H H 65 9.814 9.435 0.379 1
1 831 . 13 1 1 A 68 68 GLN HA H 65 5.510 5.665 -0.155 1
1 838 . 13 1 1 A 68 68 GLN C C 65 175.725 174.689 1.036 1
1 839 . 13 1 1 A 68 68 GLN CA C 65 53.092 54.543 -1.451 1
1 840 . 13 1 1 A 68 68 GLN CB C 65 32.600 31.215 1.385 1
1 842 . 13 1 1 A 68 68 GLN N N 65 123.050 119.143 3.907 1
1 844 . 13 1 1 A 69 69 VAL H H 66 9.198 9.695 -0.497 1
1 845 . 13 1 1 A 69 69 VAL HA H 66 4.369 4.544 -0.175 1
1 853 . 13 1 1 A 69 69 VAL C C 66 175.357 175.133 0.224 1
1 854 . 13 1 1 A 69 69 VAL CA C 66 63.045 61.966 1.079 1
1 855 . 13 1 1 A 69 69 VAL CB C 66 32.669 32.466 0.203 1
1 858 . 13 1 1 A 69 69 VAL N N 66 127.343 125.009 2.334 1
1 859 . 13 1 1 A 70 70 ILE H H 67 9.241 9.374 -0.133 1
1 860 . 13 1 1 A 70 70 ILE HA H 67 4.471 4.495 -0.024 1
1 870 . 13 1 1 A 70 70 ILE C C 67 177.081 175.536 1.545 1
1 871 . 13 1 1 A 70 70 ILE CA C 67 59.716 60.910 -1.194 1
1 872 . 13 1 1 A 70 70 ILE CB C 67 37.169 37.317 -0.148 1
1 876 . 13 1 1 A 70 70 ILE N N 67 129.254 127.445 1.809 1
1 877 . 13 1 1 A 71 71 ASP H H 68 9.374 9.007 0.367 1
1 878 . 13 1 1 A 71 71 ASP HA H 68 4.574 4.496 0.078 1
1 881 . 13 1 1 A 71 71 ASP C C 68 179.868 178.183 1.685 1
1 882 . 13 1 1 A 71 71 ASP CA C 68 58.797 57.861 0.936 1
1 883 . 13 1 1 A 71 71 ASP CB C 68 40.544 40.515 0.029 1
1 884 . 13 1 1 A 71 71 ASP N N 68 129.133 128.080 1.053 1
1 885 . 13 1 1 A 72 72 GLU H H 69 9.631 8.221 1.410 1
1 886 . 13 1 1 A 72 72 GLU HA H 69 4.088 4.120 -0.032 1
1 891 . 13 1 1 A 72 72 GLU C C 69 176.865 178.163 -1.298 1
1 892 . 13 1 1 A 72 72 GLU CA C 69 59.670 59.074 0.596 1
1 893 . 13 1 1 A 72 72 GLU CB C 69 29.100 29.632 -0.532 1
1 895 . 13 1 1 A 72 72 GLU N N 69 118.880 120.246 -1.366 1
1 896 . 13 1 1 A 73 73 LYS H H 70 6.582 7.689 -1.107 1
1 897 . 13 1 1 A 73 73 LYS HA H 70 4.474 4.352 0.122 1
1 906 . 13 1 1 A 73 73 LYS C C 70 173.964 175.568 -1.604 1
1 907 . 13 1 1 A 73 73 LYS CA C 70 54.604 56.037 -1.433 1
1 908 . 13 1 1 A 73 73 LYS CB C 70 34.075 32.870 1.205 1
1 912 . 13 1 1 A 73 73 LYS N N 70 114.014 117.335 -3.321 1
1 913 . 13 1 1 A 74 74 VAL H H 71 7.791 7.784 0.007 1
1 914 . 13 1 1 A 74 74 VAL HA H 71 2.948 3.594 -0.646 1
1 922 . 13 1 1 A 74 74 VAL C C 71 173.381 174.203 -0.822 1
1 923 . 13 1 1 A 74 74 VAL CA C 71 63.045 63.736 -0.691 1
1 924 . 13 1 1 A 74 74 VAL CB C 71 29.013 29.645 -0.632 1
1 927 . 13 1 1 A 74 74 VAL N N 71 119.301 116.556 2.745 1
1 928 . 13 1 1 A 75 75 VAL H H 72 7.736 7.756 -0.020 1
1 929 . 13 1 1 A 75 75 VAL HA H 72 5.159 5.068 0.091 1
1 937 . 13 1 1 A 75 75 VAL C C 72 175.028 173.989 1.039 1
1 938 . 13 1 1 A 75 75 VAL CA C 72 59.839 60.184 -0.345 1
1 939 . 13 1 1 A 75 75 VAL CB C 72 37.732 35.575 2.157 1
1 942 . 13 1 1 A 75 75 VAL N N 72 116.865 120.089 -3.224 1
1 943 . 13 1 1 A 76 76 VAL H H 73 9.006 9.330 -0.324 1
1 944 . 13 1 1 A 76 76 VAL HA H 73 4.190 4.678 -0.488 1
1 952 . 13 1 1 A 76 76 VAL C C 73 172.177 174.596 -2.419 1
1 953 . 13 1 1 A 76 76 VAL CA C 73 62.473 61.019 1.454 1
1 954 . 13 1 1 A 76 76 VAL CB C 73 32.388 32.312 0.076 1
1 957 . 13 1 1 A 76 76 VAL N N 73 128.675 128.266 0.409 1
1 958 . 13 1 1 A 77 77 PHE H H 74 9.468 9.439 0.029 1
1 959 . 13 1 1 A 77 77 PHE HA H 74 5.019 5.438 -0.419 1
1 966 . 13 1 1 A 77 77 PHE C C 74 174.420 173.959 0.461 1
1 967 . 13 1 1 A 77 77 PHE CA C 74 54.378 55.281 -0.903 1
1 968 . 13 1 1 A 77 77 PHE CB C 74 42.230 40.927 1.303 1
1 969 . 13 1 1 A 77 77 PHE N N 74 130.014 128.582 1.432 1
1 970 . 13 1 1 A 78 78 VAL H H 75 8.990 8.927 0.063 1
1 971 . 13 1 1 A 78 78 VAL HA H 75 3.645 4.004 -0.359 1
1 979 . 13 1 1 A 78 78 VAL C C 75 174.813 175.382 -0.569 1
1 980 . 13 1 1 A 78 78 VAL CA C 75 64.452 63.451 1.001 1
1 981 . 13 1 1 A 78 78 VAL CB C 75 31.009 31.167 -0.158 1
1 984 . 13 1 1 A 78 78 VAL N N 75 128.474 127.343 1.131 1
1 985 . 13 1 1 A 79 79 ILE H H 76 8.679 9.176 -0.497 1
1 986 . 13 1 1 A 79 79 ILE HA H 76 4.171 4.041 0.130 1
1 996 . 13 1 1 A 79 79 ILE C C 76 176.092 175.851 0.241 1
1 997 . 13 1 1 A 79 79 ILE CA C 76 61.635 62.268 -0.633 1
1 998 . 13 1 1 A 79 79 ILE CB C 76 39.982 38.528 1.454 1
1 1002 . 13 1 1 A 79 79 ILE N N 76 122.334 128.750 -6.416 1
1 1003 . 13 1 1 A 80 80 SER H H 77 7.614 7.820 -0.206 1
1 1004 . 13 1 1 A 80 80 SER HA H 77 4.724 5.089 -0.365 1
1 1007 . 13 1 1 A 80 80 SER C C 77 172.545 172.109 0.436 1
1 1008 . 13 1 1 A 80 80 SER CA C 77 57.849 57.711 0.138 1
1 1009 . 13 1 1 A 80 80 SER CB C 77 64.733 67.085 -2.352 1
1 1010 . 13 1 1 A 80 80 SER N N 77 113.369 114.508 -1.139 1
1 1011 . 13 1 1 A 81 81 VAL H H 78 8.814 8.726 0.088 1
1 1012 . 13 1 1 A 81 81 VAL HA H 78 5.102 5.115 -0.013 1
1 1020 . 13 1 1 A 81 81 VAL C C 78 173.761 174.556 -0.795 1
1 1021 . 13 1 1 A 81 81 VAL CA C 78 61.004 59.804 1.200 1
1 1022 . 13 1 1 A 81 81 VAL CB C 78 34.638 36.058 -1.420 1
1 1025 . 13 1 1 A 81 81 VAL N N 78 123.792 121.373 2.419 1
1 1026 . 13 1 1 A 82 82 GLY H H 79 8.628 8.451 0.177 1
1 1027 . 13 1 1 A 82 82 GLY HA2 H 79 4.365 4.324 0.041 1
1 1028 . 13 1 1 A 82 82 GLY HA3 H 79 4.214 4.486 -0.272 1
1 1029 . 13 1 1 A 82 82 GLY C C 79 171.201 172.095 -0.894 1
1 1030 . 13 1 1 A 82 82 GLY CA C 79 45.606 45.286 0.320 1
1 1031 . 13 1 1 A 82 82 GLY N N 79 111.112 113.079 -1.967 1
1 1032 . 13 1 1 A 83 83 LYS H H 80 8.670 8.256 0.414 1
1 1033 . 13 1 1 A 83 83 LYS HA H 80 4.205 4.518 -0.313 1
1 1042 . 13 1 1 A 83 83 LYS C C 80 176.080 175.485 0.595 1
1 1043 . 13 1 1 A 83 83 LYS CA C 80 55.451 54.476 0.975 1
1 1044 . 13 1 1 A 83 83 LYS CB C 80 32.665 34.421 -1.756 1
1 1048 . 13 1 1 A 83 83 LYS N N 80 120.943 122.172 -1.229 1
1 1049 . 13 1 1 A 84 84 ALA H H 81 8.049 8.238 -0.189 1
1 1050 . 13 1 1 A 84 84 ALA HA H 81 4.182 4.820 -0.638 1
1 1054 . 13 1 1 A 84 84 ALA C C 81 176.941 177.200 -0.259 1
1 1055 . 13 1 1 A 84 84 ALA CA C 81 52.248 50.925 1.323 1
1 1056 . 13 1 1 A 84 84 ALA CB C 81 19.450 20.837 -1.387 1
1 1057 . 13 1 1 A 84 84 ALA N N 81 125.262 121.452 3.810 1
1 1058 . 13 1 1 A 85 85 GLU H H 82 8.460 8.993 -0.533 1
1 1059 . 13 1 1 A 85 85 GLU HA H 82 4.230 4.401 -0.171 1
1 1064 . 13 1 1 A 85 85 GLU C C 82 176.599 177.614 -1.015 1
1 1065 . 13 1 1 A 85 85 GLU CA C 82 56.446 58.371 -1.925 1
1 1066 . 13 1 1 A 85 85 GLU CB C 82 29.853 30.755 -0.902 1
1 1068 . 13 1 1 A 85 85 GLU N N 82 119.296 124.905 -5.609 1
1 1069 . 13 1 1 A 86 86 ALA H H 83 8.403 8.075 0.328 1
1 1070 . 13 1 1 A 86 86 ALA HA H 83 4.149 4.589 -0.440 1
1 1074 . 13 1 1 A 86 86 ALA C C 83 177.777 177.417 0.360 1
1 1075 . 13 1 1 A 86 86 ALA CA C 83 53.448 53.379 0.069 1
1 1076 . 13 1 1 A 86 86 ALA CB C 83 18.887 20.977 -2.090 1
1 1077 . 13 1 1 A 86 86 ALA N N 83 124.833 119.806 5.027 1
1 1078 . 13 1 1 A 87 87 SER H H 84 8.301 8.156 0.145 1
1 1079 . 13 1 1 A 87 87 SER HA H 84 4.297 4.946 -0.649 1
1 1082 . 13 1 1 A 87 87 SER C C 84 175.370 175.674 -0.304 1
1 1083 . 13 1 1 A 87 87 SER N N 84 113.395 111.875 1.520 1
1 1084 . 13 1 1 A 88 88 GLU H H 85 8.271 8.301 -0.030 1
1 1085 . 13 1 1 A 88 88 GLU HA H 85 4.239 4.022 0.217 1
1 1090 . 13 1 1 A 88 88 GLU C C 85 177.081 178.579 -1.498 1
1 1091 . 13 1 1 A 88 88 GLU CA C 85 57.140 59.476 -2.336 1
1 1092 . 13 1 1 A 88 88 GLU CB C 85 29.856 29.151 0.705 1
1 1094 . 13 1 1 A 88 88 GLU N N 85 122.554 121.959 0.595 1
1 1095 . 13 1 1 A 89 89 VAL H H 86 7.833 7.649 0.184 1
1 1096 . 13 1 1 A 89 89 VAL HA H 86 3.895 3.992 -0.097 1
1 1104 . 13 1 1 A 89 89 VAL C C 86 177.172 176.803 0.369 1
1 1105 . 13 1 1 A 89 89 VAL CA C 86 63.045 63.533 -0.488 1
1 1106 . 13 1 1 A 89 89 VAL CB C 86 32.107 31.655 0.452 1
1 1109 . 13 1 1 A 89 89 VAL N N 86 119.916 115.855 4.061 1
1 1110 . 13 1 1 A 90 90 TYR H H 87 8.142 7.722 0.420 1
1 1111 . 13 1 1 A 90 90 TYR HA H 87 4.479 4.446 0.033 1
1 1118 . 13 1 1 A 90 90 TYR C C 87 176.637 178.275 -1.638 1
1 1119 . 13 1 1 A 90 90 TYR CA C 87 58.545 60.405 -1.860 1
1 1120 . 13 1 1 A 90 90 TYR CB C 87 37.732 39.073 -1.341 1
1 1121 . 13 1 1 A 90 90 TYR N N 87 122.303 121.264 1.039 1
1 1122 . 13 1 1 A 91 91 SER H H 88 8.090 8.549 -0.459 1
1 1123 . 13 1 1 A 91 91 SER HA H 88 4.335 4.279 0.056 1
1 1126 . 13 1 1 A 91 91 SER C C 88 176.130 177.060 -0.930 1
1 1127 . 13 1 1 A 91 91 SER CA C 88 59.899 61.865 -1.966 1
1 1128 . 13 1 1 A 91 91 SER CB C 88 62.483 62.756 -0.273 1
1 1129 . 13 1 1 A 91 91 SER N N 88 115.828 116.244 -0.416 1
1 1130 . 13 1 1 A 92 92 GLU H H 89 8.234 7.332 0.902 1
1 1131 . 13 1 1 A 92 92 GLU HA H 89 4.213 4.052 0.161 1
1 1136 . 13 1 1 A 92 92 GLU C C 89 177.600 179.018 -1.418 1
1 1137 . 13 1 1 A 92 92 GLU CA C 89 57.701 58.926 -1.225 1
1 1138 . 13 1 1 A 92 92 GLU CB C 89 29.575 29.127 0.448 1
1 1140 . 13 1 1 A 92 92 GLU N N 89 121.225 122.076 -0.851 1
1 1141 . 13 1 1 A 93 93 ALA H H 90 7.960 8.050 -0.090 1
1 1142 . 13 1 1 A 93 93 ALA HA H 90 4.025 4.083 -0.058 1
1 1146 . 13 1 1 A 93 93 ALA C C 90 178.550 179.020 -0.470 1
1 1147 . 13 1 1 A 93 93 ALA CA C 90 54.225 55.112 -0.887 1
1 1148 . 13 1 1 A 93 93 ALA CB C 90 18.325 18.780 -0.455 1
1 1149 . 13 1 1 A 93 93 ALA N N 90 122.055 123.169 -1.114 1
1 1150 . 13 1 1 A 94 94 VAL H H 91 7.799 8.336 -0.537 1
1 1151 . 13 1 1 A 94 94 VAL HA H 91 3.818 3.864 -0.046 1
1 1159 . 13 1 1 A 94 94 VAL CA C 91 64.167 65.061 -0.894 1
1 1160 . 13 1 1 A 94 94 VAL CB C 91 31.825 31.184 0.641 1
1 1163 . 13 1 1 A 94 94 VAL N N 91 115.727 117.349 -1.622 1
1 1164 . 13 1 1 A 95 95 LYS H H 92 7.764 8.062 -0.298 1
1 1165 . 13 1 1 A 95 95 LYS HA H 92 4.197 4.261 -0.064 1
1 1174 . 13 1 1 A 95 95 LYS C C 92 177.600 177.933 -0.333 1
1 1175 . 13 1 1 A 95 95 LYS CA C 92 57.139 58.891 -1.752 1
1 1176 . 13 1 1 A 95 95 LYS CB C 92 32.600 32.294 0.306 1
1 1180 . 13 1 1 A 95 95 LYS N N 92 120.823 121.625 -0.802 1
1 1181 . 13 1 1 A 96 96 ARG H H 93 7.970 7.821 0.149 1
1 1182 . 13 1 1 A 96 96 ARG HA H 93 4.341 4.245 0.096 1
1 1189 . 13 1 1 A 96 96 ARG C C 93 179.703 177.605 2.098 1
1 1190 . 13 1 1 A 96 96 ARG CA C 93 56.295 58.274 -1.979 1
1 1191 . 13 1 1 A 96 96 ARG CB C 93 31.400 30.575 0.825 1
1 1194 . 13 1 1 A 96 96 ARG N N 93 119.070 118.587 0.483 1
1 1195 . 13 1 1 A 97 97 ILE H H 94 8.012 7.648 0.364 1
1 1196 . 13 1 1 A 97 97 ILE HA H 94 4.216 4.062 0.154 1
1 1206 . 13 1 1 A 97 97 ILE C C 94 175.509 176.967 -1.458 1
1 1207 . 13 1 1 A 97 97 ILE CA C 94 61.362 63.775 -2.413 1
1 1208 . 13 1 1 A 97 97 ILE CB C 94 38.576 38.214 0.362 1
1 1212 . 13 1 1 A 97 97 ILE N N 94 120.512 116.955 3.557 1
1 16 . 14 1 1 A 5 5 ALA H H 2 8.084 8.799 -0.715 1
1 17 . 14 1 1 A 5 5 ALA HA H 2 4.423 5.699 -1.276 1
1 21 . 14 1 1 A 5 5 ALA C C 2 176.536 176.233 0.303 1
1 22 . 14 1 1 A 5 5 ALA CA C 2 51.634 50.066 1.568 1
1 23 . 14 1 1 A 5 5 ALA CB C 2 19.439 21.277 -1.838 1
1 24 . 14 1 1 A 5 5 ALA N N 2 125.284 127.970 -2.686 1
1 25 . 14 1 1 A 6 6 TYR H H 3 8.406 8.980 -0.574 1
1 26 . 14 1 1 A 6 6 TYR HA H 3 4.312 4.821 -0.509 1
1 33 . 14 1 1 A 6 6 TYR C C 3 175.433 175.391 0.042 1
1 34 . 14 1 1 A 6 6 TYR CA C 3 57.701 57.268 0.433 1
1 35 . 14 1 1 A 6 6 TYR CB C 3 39.701 40.805 -1.104 1
1 36 . 14 1 1 A 6 6 TYR N N 3 120.887 121.253 -0.366 1
1 37 . 14 1 1 A 7 7 PHE H H 4 8.703 9.213 -0.510 1
1 38 . 14 1 1 A 7 7 PHE HA H 4 4.645 4.918 -0.273 1
1 45 . 14 1 1 A 7 7 PHE C C 4 173.812 174.779 -0.967 1
1 46 . 14 1 1 A 7 7 PHE CA C 4 56.853 57.568 -0.715 1
1 47 . 14 1 1 A 7 7 PHE CB C 4 40.541 40.708 -0.167 1
1 48 . 14 1 1 A 7 7 PHE N N 4 119.295 120.114 -0.819 1
1 49 . 14 1 1 A 8 8 LEU H H 5 8.255 8.712 -0.457 1
1 50 . 14 1 1 A 8 8 LEU HA H 5 4.985 5.112 -0.127 1
1 60 . 14 1 1 A 8 8 LEU C C 5 174.927 174.351 0.576 1
1 61 . 14 1 1 A 8 8 LEU CA C 5 53.544 53.527 0.017 1
1 62 . 14 1 1 A 8 8 LEU CB C 5 44.201 45.462 -1.261 1
1 66 . 14 1 1 A 8 8 LEU N N 5 124.516 122.842 1.674 1
1 67 . 14 1 1 A 9 9 ASP H H 6 9.047 8.735 0.312 1
1 68 . 14 1 1 A 9 9 ASP HA H 6 5.089 5.388 -0.299 1
1 71 . 14 1 1 A 9 9 ASP C C 6 173.216 174.289 -1.073 1
1 72 . 14 1 1 A 9 9 ASP CA C 6 52.278 52.882 -0.604 1
1 73 . 14 1 1 A 9 9 ASP CB C 6 45.326 45.073 0.253 1
1 74 . 14 1 1 A 9 9 ASP N N 6 126.171 125.330 0.841 1
1 75 . 14 1 1 A 10 10 PHE H H 7 8.891 9.000 -0.109 1
1 76 . 14 1 1 A 10 10 PHE HA H 7 4.545 4.668 -0.123 1
1 83 . 14 1 1 A 10 10 PHE C C 7 175.218 174.625 0.593 1
1 84 . 14 1 1 A 10 10 PHE CA C 7 56.243 56.170 0.073 1
1 85 . 14 1 1 A 10 10 PHE CB C 7 43.638 41.951 1.687 1
1 86 . 14 1 1 A 10 10 PHE N N 7 119.178 120.726 -1.548 1
1 87 . 14 1 1 A 11 11 ASP H H 8 8.124 8.357 -0.233 1
1 88 . 14 1 1 A 11 11 ASP HA H 8 4.551 4.684 -0.133 1
1 91 . 14 1 1 A 11 11 ASP C C 8 177.157 177.328 -0.171 1
1 92 . 14 1 1 A 11 11 ASP CA C 8 54.315 54.269 0.046 1
1 93 . 14 1 1 A 11 11 ASP CB C 8 44.201 42.489 1.712 1
1 94 . 14 1 1 A 11 11 ASP N N 8 123.305 123.731 -0.426 1
1 95 . 14 1 1 A 12 12 GLU H H 9 9.197 9.026 0.171 1
1 96 . 14 1 1 A 12 12 GLU HA H 9 4.016 4.107 -0.091 1
1 101 . 14 1 1 A 12 12 GLU C C 9 178.880 178.745 0.135 1
1 102 . 14 1 1 A 12 12 GLU CA C 9 60.365 59.158 1.207 1
1 103 . 14 1 1 A 12 12 GLU CB C 9 29.670 29.095 0.575 1
1 105 . 14 1 1 A 12 12 GLU N N 9 127.082 123.061 4.021 1
1 106 . 14 1 1 A 13 13 ARG H H 10 8.949 8.487 0.462 1
1 107 . 14 1 1 A 13 13 ARG HA H 10 4.097 4.031 0.066 1
1 114 . 14 1 1 A 13 13 ARG C C 10 179.273 178.890 0.383 1
1 115 . 14 1 1 A 13 13 ARG CA C 10 58.924 59.142 -0.218 1
1 116 . 14 1 1 A 13 13 ARG CB C 10 30.138 30.138 0.000 1
1 119 . 14 1 1 A 13 13 ARG N N 10 119.265 119.434 -0.169 1
1 120 . 14 1 1 A 14 14 ALA H H 11 7.451 8.044 -0.593 1
1 121 . 14 1 1 A 14 14 ALA HA H 11 4.685 4.149 0.536 1
1 125 . 14 1 1 A 14 14 ALA C C 11 179.564 180.088 -0.524 1
1 126 . 14 1 1 A 14 14 ALA CA C 11 53.705 55.064 -1.359 1
1 127 . 14 1 1 A 14 14 ALA CB C 11 18.325 18.055 0.270 1
1 128 . 14 1 1 A 14 14 ALA N N 11 122.421 121.983 0.438 1
1 129 . 14 1 1 A 15 15 LEU H H 12 8.683 8.280 0.403 1
1 130 . 14 1 1 A 15 15 LEU HA H 12 3.877 3.840 0.037 1
1 140 . 14 1 1 A 15 15 LEU C C 12 178.550 179.450 -0.900 1
1 141 . 14 1 1 A 15 15 LEU CA C 12 57.139 57.872 -0.733 1
1 142 . 14 1 1 A 15 15 LEU CB C 12 41.103 41.214 -0.111 1
1 146 . 14 1 1 A 15 15 LEU N N 12 120.118 118.664 1.454 1
1 147 . 14 1 1 A 16 16 LYS H H 13 7.345 7.940 -0.595 1
1 148 . 14 1 1 A 16 16 LYS HA H 13 3.995 3.884 0.111 1
1 157 . 14 1 1 A 16 16 LYS C C 13 179.678 179.811 -0.133 1
1 158 . 14 1 1 A 16 16 LYS CA C 13 59.700 60.492 -0.792 1
1 159 . 14 1 1 A 16 16 LYS CB C 13 32.388 32.146 0.242 1
1 163 . 14 1 1 A 16 16 LYS N N 13 117.725 117.906 -0.181 1
1 164 . 14 1 1 A 17 17 GLU H H 14 7.453 7.730 -0.277 1
1 165 . 14 1 1 A 17 17 GLU HA H 14 4.016 4.124 -0.108 1
1 170 . 14 1 1 A 17 17 GLU C C 14 179.589 179.166 0.423 1
1 171 . 14 1 1 A 17 17 GLU CA C 14 58.841 59.120 -0.279 1
1 172 . 14 1 1 A 17 17 GLU CB C 14 29.298 29.414 -0.116 1
1 174 . 14 1 1 A 17 17 GLU N N 14 118.019 119.707 -1.688 1
1 175 . 14 1 1 A 18 18 TRP H H 15 9.081 8.535 0.546 1
1 176 . 14 1 1 A 18 18 TRP HA H 15 4.174 4.190 -0.016 1
1 183 . 14 1 1 A 18 18 TRP C C 15 178.360 178.571 -0.211 1
1 184 . 14 1 1 A 18 18 TRP CA C 15 59.938 60.914 -0.976 1
1 185 . 14 1 1 A 18 18 TRP CB C 15 30.241 29.789 0.452 1
1 186 . 14 1 1 A 18 18 TRP N N 15 122.628 122.055 0.573 1
1 188 . 14 1 1 A 19 19 ARG H H 16 8.197 8.148 0.049 1
1 189 . 14 1 1 A 19 19 ARG HA H 16 3.863 4.084 -0.221 1
1 196 . 14 1 1 A 19 19 ARG C C 16 177.030 178.989 -1.959 1
1 197 . 14 1 1 A 19 19 ARG CA C 16 58.516 58.776 -0.260 1
1 198 . 14 1 1 A 19 19 ARG CB C 16 30.300 29.738 0.562 1
1 201 . 14 1 1 A 19 19 ARG N N 16 115.582 118.320 -2.738 1
1 202 . 14 1 1 A 20 20 LYS H H 17 7.308 7.537 -0.229 1
1 203 . 14 1 1 A 20 20 LYS HA H 17 4.238 4.106 0.132 1
1 212 . 14 1 1 A 20 20 LYS C C 17 177.043 177.152 -0.109 1
1 213 . 14 1 1 A 20 20 LYS CA C 17 56.270 58.964 -2.694 1
1 214 . 14 1 1 A 20 20 LYS CB C 17 32.300 31.856 0.444 1
1 218 . 14 1 1 A 20 20 LYS N N 17 116.689 119.522 -2.833 1
1 219 . 14 1 1 A 21 21 LEU H H 18 6.998 7.303 -0.305 1
1 220 . 14 1 1 A 21 21 LEU HA H 18 4.026 4.054 -0.028 1
1 230 . 14 1 1 A 21 21 LEU C C 18 177.676 177.405 0.271 1
1 231 . 14 1 1 A 21 21 LEU CA C 18 54.567 55.205 -0.638 1
1 232 . 14 1 1 A 21 21 LEU CB C 18 43.357 42.009 1.348 1
1 236 . 14 1 1 A 21 21 LEU N N 18 118.778 121.430 -2.652 1
1 237 . 14 1 1 A 22 22 GLY H H 19 8.370 8.287 0.083 1
1 238 . 14 1 1 A 22 22 GLY HA2 H 19 4.064 3.925 0.139 1
1 239 . 14 1 1 A 22 22 GLY HA3 H 19 3.845 3.953 -0.108 1
1 240 . 14 1 1 A 22 22 GLY C C 19 174.813 174.801 0.012 1
1 241 . 14 1 1 A 22 22 GLY CA C 19 45.045 45.270 -0.225 1
1 242 . 14 1 1 A 22 22 GLY N N 19 107.490 109.614 -2.124 1
1 243 . 14 1 1 A 23 23 SER H H 20 8.675 8.793 -0.118 1
1 244 . 14 1 1 A 23 23 SER HA H 20 4.288 3.899 0.389 1
1 247 . 14 1 1 A 23 23 SER CA C 20 58.981 62.530 -3.549 1
1 248 . 14 1 1 A 23 23 SER CB C 20 63.045 62.635 0.410 1
1 249 . 14 1 1 A 23 23 SER N N 20 117.877 117.711 0.166 1
1 250 . 14 1 1 A 24 24 THR H H 21 8.216 7.913 0.303 1
1 251 . 14 1 1 A 24 24 THR HA H 21 3.983 3.945 0.038 1
1 256 . 14 1 1 A 24 24 THR C C 21 176.510 176.711 -0.201 1
1 257 . 14 1 1 A 24 24 THR CA C 21 65.858 66.314 -0.456 1
1 258 . 14 1 1 A 24 24 THR CB C 21 67.941 68.087 -0.146 1
1 260 . 14 1 1 A 24 24 THR N N 21 115.680 117.406 -1.726 1
1 261 . 14 1 1 A 25 25 VAL H H 22 7.143 7.909 -0.766 1
1 262 . 14 1 1 A 25 25 VAL HA H 22 3.545 3.391 0.154 1
1 270 . 14 1 1 A 25 25 VAL C C 22 177.613 177.689 -0.076 1
1 271 . 14 1 1 A 25 25 VAL CA C 22 65.577 66.733 -1.156 1
1 272 . 14 1 1 A 25 25 VAL CB C 22 31.544 31.172 0.372 1
1 275 . 14 1 1 A 25 25 VAL N N 22 122.443 121.784 0.659 1
1 276 . 14 1 1 A 26 26 ARG H H 23 7.840 8.110 -0.270 1
1 277 . 14 1 1 A 26 26 ARG HA H 23 3.156 3.656 -0.500 1
1 284 . 14 1 1 A 26 26 ARG C C 23 177.790 178.374 -0.584 1
1 285 . 14 1 1 A 26 26 ARG CA C 23 59.951 58.442 1.509 1
1 286 . 14 1 1 A 26 26 ARG CB C 23 29.590 28.886 0.704 1
1 289 . 14 1 1 A 26 26 ARG N N 23 119.146 119.732 -0.586 1
1 290 . 14 1 1 A 27 27 GLU H H 24 8.159 8.321 -0.162 1
1 291 . 14 1 1 A 27 27 GLU HA H 24 3.970 4.078 -0.108 1
1 296 . 14 1 1 A 27 27 GLU C C 24 179.577 179.645 -0.068 1
1 297 . 14 1 1 A 27 27 GLU CA C 24 59.400 59.270 0.130 1
1 298 . 14 1 1 A 27 27 GLU CB C 24 29.013 29.255 -0.242 1
1 300 . 14 1 1 A 27 27 GLU N N 24 116.672 118.635 -1.963 1
1 301 . 14 1 1 A 28 28 GLN H H 25 7.693 7.572 0.121 1
1 302 . 14 1 1 A 28 28 GLN HA H 25 4.094 4.076 0.018 1
1 309 . 14 1 1 A 28 28 GLN C C 25 179.919 179.587 0.332 1
1 310 . 14 1 1 A 28 28 GLN CA C 25 59.108 58.664 0.444 1
1 311 . 14 1 1 A 28 28 GLN CB C 25 29.575 28.288 1.287 1
1 313 . 14 1 1 A 28 28 GLN N N 25 118.482 119.209 -0.727 1
1 315 . 14 1 1 A 29 29 LEU H H 26 8.441 8.030 0.411 1
1 316 . 14 1 1 A 29 29 LEU HA H 26 4.096 4.181 -0.085 1
1 326 . 14 1 1 A 29 29 LEU C C 26 178.804 179.540 -0.736 1
1 327 . 14 1 1 A 29 29 LEU CA C 26 57.983 57.893 0.090 1
1 328 . 14 1 1 A 29 29 LEU CB C 26 42.513 41.549 0.964 1
1 332 . 14 1 1 A 29 29 LEU N N 26 119.907 120.411 -0.504 1
1 333 . 14 1 1 A 30 30 LYS H H 27 9.233 8.725 0.508 1
1 334 . 14 1 1 A 30 30 LYS HA H 27 4.076 4.219 -0.143 1
1 343 . 14 1 1 A 30 30 LYS C C 27 178.056 178.589 -0.533 1
1 344 . 14 1 1 A 30 30 LYS CA C 27 60.233 59.771 0.462 1
1 345 . 14 1 1 A 30 30 LYS CB C 27 32.103 32.685 -0.582 1
1 349 . 14 1 1 A 30 30 LYS N N 27 120.508 120.647 -0.139 1
1 350 . 14 1 1 A 31 31 LYS H H 28 7.698 7.650 0.048 1
1 351 . 14 1 1 A 31 31 LYS HA H 28 4.056 4.035 0.021 1
1 360 . 14 1 1 A 31 31 LYS C C 28 179.539 179.707 -0.168 1
1 361 . 14 1 1 A 31 31 LYS CA C 28 59.596 59.729 -0.133 1
1 362 . 14 1 1 A 31 31 LYS CB C 28 32.400 32.307 0.093 1
1 366 . 14 1 1 A 31 31 LYS N N 28 117.412 117.917 -0.505 1
1 367 . 14 1 1 A 32 32 LYS H H 29 7.347 7.349 -0.002 1
1 368 . 14 1 1 A 32 32 LYS HA H 29 4.230 4.034 0.196 1
1 377 . 14 1 1 A 32 32 LYS C C 29 179.057 179.501 -0.444 1
1 378 . 14 1 1 A 32 32 LYS CA C 29 57.553 59.499 -1.946 1
1 379 . 14 1 1 A 32 32 LYS CB C 29 32.103 32.371 -0.268 1
1 383 . 14 1 1 A 32 32 LYS N N 29 116.983 120.217 -3.234 1
1 384 . 14 1 1 A 33 33 LEU H H 30 8.663 8.181 0.482 1
1 385 . 14 1 1 A 33 33 LEU HA H 30 3.844 3.900 -0.056 1
1 395 . 14 1 1 A 33 33 LEU C C 30 177.765 178.766 -1.001 1
1 396 . 14 1 1 A 33 33 LEU CA C 30 57.420 57.831 -0.411 1
1 397 . 14 1 1 A 33 33 LEU CB C 30 42.513 41.669 0.844 1
1 401 . 14 1 1 A 33 33 LEU N N 30 121.134 120.291 0.843 1
1 402 . 14 1 1 A 34 34 VAL H H 31 8.185 8.430 -0.245 1
1 403 . 14 1 1 A 34 34 VAL HA H 31 3.548 3.483 0.065 1
1 411 . 14 1 1 A 34 34 VAL C C 31 178.639 177.670 0.969 1
1 412 . 14 1 1 A 34 34 VAL CA C 31 66.702 66.736 -0.034 1
1 413 . 14 1 1 A 34 34 VAL CB C 31 31.544 31.279 0.265 1
1 416 . 14 1 1 A 34 34 VAL N N 31 117.076 119.357 -2.281 1
1 417 . 14 1 1 A 35 35 GLU H H 32 7.143 8.325 -1.182 1
1 418 . 14 1 1 A 35 35 GLU HA H 32 4.093 4.038 0.055 1
1 423 . 14 1 1 A 35 35 GLU C C 32 179.450 178.729 0.721 1
1 424 . 14 1 1 A 35 35 GLU CA C 32 58.264 59.151 -0.887 1
1 425 . 14 1 1 A 35 35 GLU CB C 32 29.575 29.111 0.464 1
1 427 . 14 1 1 A 35 35 GLU N N 32 117.290 119.512 -2.222 1
1 428 . 14 1 1 A 36 36 VAL H H 33 7.659 8.348 -0.689 1
1 429 . 14 1 1 A 36 36 VAL HA H 33 3.774 3.765 0.009 1
1 437 . 14 1 1 A 36 36 VAL C C 33 176.929 177.554 -0.625 1
1 438 . 14 1 1 A 36 36 VAL CA C 33 63.889 64.982 -1.093 1
1 439 . 14 1 1 A 36 36 VAL CB C 33 31.825 31.113 0.712 1
1 442 . 14 1 1 A 36 36 VAL N N 33 118.056 119.785 -1.729 1
1 443 . 14 1 1 A 37 37 LEU H H 34 7.679 7.591 0.088 1
1 444 . 14 1 1 A 37 37 LEU HA H 34 3.619 3.917 -0.298 1
1 454 . 14 1 1 A 37 37 LEU C C 34 177.968 178.026 -0.058 1
1 455 . 14 1 1 A 37 37 LEU CA C 34 57.420 57.196 0.224 1
1 456 . 14 1 1 A 37 37 LEU CB C 34 40.263 41.571 -1.308 1
1 460 . 14 1 1 A 37 37 LEU N N 34 116.847 120.967 -4.120 1
1 461 . 14 1 1 A 38 38 GLU H H 35 7.238 7.848 -0.610 1
1 462 . 14 1 1 A 38 38 GLU HA H 35 4.295 4.328 -0.033 1
1 467 . 14 1 1 A 38 38 GLU C C 35 177.853 176.735 1.118 1
1 468 . 14 1 1 A 38 38 GLU CA C 35 57.900 57.075 0.825 1
1 469 . 14 1 1 A 38 38 GLU CB C 35 30.138 29.856 0.282 1
1 471 . 14 1 1 A 38 38 GLU N N 35 113.881 115.673 -1.792 1
1 472 . 14 1 1 A 39 39 SER H H 36 7.101 7.737 -0.636 1
1 473 . 14 1 1 A 39 39 SER HA H 36 4.518 4.755 -0.237 1
1 476 . 14 1 1 A 39 39 SER CA C 36 55.553 55.435 0.118 1
1 477 . 14 1 1 A 39 39 SER CB C 36 61.920 62.800 -0.880 1
1 478 . 14 1 1 A 39 39 SER N N 36 109.128 114.159 -5.031 1
1 479 . 14 1 1 A 40 40 PRO HA H 37 4.363 4.207 0.156 1
1 486 . 14 1 1 A 40 40 PRO C C 37 177.879 177.055 0.824 1
1 487 . 14 1 1 A 40 40 PRO CA C 37 64.705 63.605 1.100 1
1 488 . 14 1 1 A 40 40 PRO CB C 37 32.669 31.698 0.971 1
1 491 . 14 1 1 A 41 41 ARG H H 38 8.299 8.192 0.107 1
1 492 . 14 1 1 A 41 41 ARG HA H 38 3.183 4.445 -1.262 1
1 499 . 14 1 1 A 41 41 ARG C C 38 174.217 175.513 -1.296 1
1 500 . 14 1 1 A 41 41 ARG CA C 38 56.014 55.791 0.223 1
1 501 . 14 1 1 A 41 41 ARG CB C 38 29.571 29.828 -0.257 1
1 504 . 14 1 1 A 41 41 ARG N N 38 121.121 115.364 5.757 1
1 505 . 14 1 1 A 42 42 ILE H H 39 5.995 7.173 -1.178 1
1 506 . 14 1 1 A 42 42 ILE HA H 39 4.177 4.222 -0.045 1
1 516 . 14 1 1 A 42 42 ILE C C 39 176.295 177.687 -1.392 1
1 517 . 14 1 1 A 42 42 ILE CA C 39 59.389 61.268 -1.879 1
1 518 . 14 1 1 A 42 42 ILE CB C 39 39.138 37.024 2.114 1
1 522 . 14 1 1 A 42 42 ILE N N 39 128.247 121.984 6.263 1
1 523 . 14 1 1 A 43 43 GLU H H 40 8.893 8.902 -0.009 1
1 524 . 14 1 1 A 43 43 GLU HA H 40 4.174 4.139 0.035 1
1 529 . 14 1 1 A 43 43 GLU C C 40 178.918 178.608 0.310 1
1 530 . 14 1 1 A 43 43 GLU CA C 40 60.336 59.105 1.231 1
1 531 . 14 1 1 A 43 43 GLU CB C 40 29.100 29.120 -0.020 1
1 533 . 14 1 1 A 43 43 GLU N N 40 130.055 127.660 2.395 1
1 534 . 14 1 1 A 44 44 ALA H H 41 8.851 7.794 1.057 1
1 535 . 14 1 1 A 44 44 ALA HA H 41 4.222 4.122 0.100 1
1 539 . 14 1 1 A 44 44 ALA C C 41 178.069 178.274 -0.205 1
1 540 . 14 1 1 A 44 44 ALA CA C 41 54.148 54.221 -0.073 1
1 541 . 14 1 1 A 44 44 ALA CB C 41 18.606 18.273 0.333 1
1 542 . 14 1 1 A 44 44 ALA N N 41 119.773 122.282 -2.509 1
1 543 . 14 1 1 A 45 45 ASN H H 42 8.176 7.861 0.315 1
1 544 . 14 1 1 A 45 45 ASN HA H 42 5.046 4.801 0.245 1
1 549 . 14 1 1 A 45 45 ASN C C 42 174.521 175.406 -0.885 1
1 550 . 14 1 1 A 45 45 ASN CA C 42 51.495 53.365 -1.870 1
1 551 . 14 1 1 A 45 45 ASN CB C 42 38.853 39.540 -0.687 1
1 552 . 14 1 1 A 45 45 ASN N N 42 114.425 114.557 -0.132 1
1 554 . 14 1 1 A 46 46 LYS H H 43 7.524 7.240 0.284 1
1 555 . 14 1 1 A 46 46 LYS HA H 43 3.769 3.791 -0.022 1
1 564 . 14 1 1 A 46 46 LYS C C 43 176.143 176.512 -0.369 1
1 565 . 14 1 1 A 46 46 LYS CA C 43 56.858 56.278 0.580 1
1 566 . 14 1 1 A 46 46 LYS CB C 43 33.232 32.782 0.450 1
1 570 . 14 1 1 A 46 46 LYS N N 43 122.393 122.393 0.000 1
1 571 . 14 1 1 A 47 47 LEU H H 44 7.982 8.434 -0.452 1
1 572 . 14 1 1 A 47 47 LEU HA H 44 4.374 4.493 -0.119 1
1 582 . 14 1 1 A 47 47 LEU C C 44 176.143 178.284 -2.141 1
1 583 . 14 1 1 A 47 47 LEU CA C 44 53.746 54.458 -0.712 1
1 584 . 14 1 1 A 47 47 LEU CB C 44 41.951 42.497 -0.546 1
1 588 . 14 1 1 A 47 47 LEU N N 44 127.624 126.241 1.383 1
1 589 . 14 1 1 A 48 48 ARG H H 45 8.549 8.948 -0.399 1
1 590 . 14 1 1 A 48 48 ARG HA H 45 4.346 4.138 0.208 1
1 597 . 14 1 1 A 48 48 ARG CA C 45 55.800 59.241 -3.441 1
1 598 . 14 1 1 A 48 48 ARG CB C 45 31.263 30.680 0.583 1
1 601 . 14 1 1 A 48 48 ARG N N 45 125.873 123.426 2.447 1
1 602 . 14 1 1 A 49 49 GLY H H 46 8.800 7.575 1.225 1
1 603 . 14 1 1 A 49 49 GLY HA2 H 46 3.760 4.120 -0.360 1
1 604 . 14 1 1 A 49 49 GLY HA3 H 46 4.070 4.152 -0.082 1
1 605 . 14 1 1 A 49 49 GLY C C 46 173.482 172.700 0.782 1
1 606 . 14 1 1 A 49 49 GLY CA C 46 45.326 45.362 -0.036 1
1 607 . 14 1 1 A 49 49 GLY N N 46 111.980 105.516 6.464 1
1 608 . 14 1 1 A 50 50 MET H H 47 7.272 8.953 -1.681 1
1 609 . 14 1 1 A 50 50 MET HA H 47 4.921 4.953 -0.032 1
1 617 . 14 1 1 A 50 50 MET CA C 47 52.049 53.813 -1.764 1
1 618 . 14 1 1 A 50 50 MET CB C 47 33.794 36.308 -2.514 1
1 621 . 14 1 1 A 50 50 MET N N 47 119.077 125.213 -6.136 1
1 622 . 14 1 1 A 51 51 PRO HA H 48 4.294 4.382 -0.088 1
1 629 . 14 1 1 A 51 51 PRO C C 48 176.460 176.763 -0.303 1
1 630 . 14 1 1 A 51 51 PRO CA C 48 63.879 62.962 0.917 1
1 631 . 14 1 1 A 51 51 PRO CB C 48 31.825 30.797 1.028 1
1 634 . 14 1 1 A 52 52 ASP H H 49 8.661 8.532 0.129 1
1 635 . 14 1 1 A 52 52 ASP HA H 49 4.487 3.981 0.506 1
1 638 . 14 1 1 A 52 52 ASP C C 49 174.065 174.828 -0.763 1
1 639 . 14 1 1 A 52 52 ASP CA C 49 56.042 54.859 1.183 1
1 640 . 14 1 1 A 52 52 ASP CB C 49 41.107 39.726 1.381 1
1 641 . 14 1 1 A 52 52 ASP N N 49 116.477 117.115 -0.638 1
1 642 . 14 1 1 A 53 53 CYS H H 50 7.575 7.325 0.250 1
1 643 . 14 1 1 A 53 53 CYS HA H 50 5.835 5.199 0.636 1
1 646 . 14 1 1 A 53 53 CYS C C 50 173.444 173.075 0.369 1
1 647 . 14 1 1 A 53 53 CYS CA C 50 58.110 57.873 0.237 1
1 648 . 14 1 1 A 53 53 CYS CB C 50 30.700 29.789 0.911 1
1 649 . 14 1 1 A 53 53 CYS N N 50 114.414 117.530 -3.116 1
1 650 . 14 1 1 A 54 54 TYR H H 51 8.806 9.085 -0.279 1
1 651 . 14 1 1 A 54 54 TYR HA H 51 4.737 4.953 -0.216 1
1 658 . 14 1 1 A 54 54 TYR C C 51 172.950 174.394 -1.444 1
1 659 . 14 1 1 A 54 54 TYR CA C 51 56.066 56.352 -0.286 1
1 660 . 14 1 1 A 54 54 TYR CB C 51 42.794 43.214 -0.420 1
1 661 . 14 1 1 A 54 54 TYR N N 51 120.858 120.550 0.308 1
1 662 . 14 1 1 A 55 55 LYS H H 52 8.425 9.177 -0.752 1
1 663 . 14 1 1 A 55 55 LYS HA H 52 5.687 5.322 0.365 1
1 672 . 14 1 1 A 55 55 LYS C C 52 176.498 175.084 1.414 1
1 673 . 14 1 1 A 55 55 LYS CA C 52 53.291 54.188 -0.897 1
1 674 . 14 1 1 A 55 55 LYS CB C 52 36.325 35.886 0.439 1
1 678 . 14 1 1 A 55 55 LYS N N 52 115.794 117.755 -1.961 1
1 679 . 14 1 1 A 56 56 ILE H H 53 9.187 8.927 0.260 1
1 680 . 14 1 1 A 56 56 ILE HA H 53 4.416 5.077 -0.661 1
1 690 . 14 1 1 A 56 56 ILE C C 53 174.572 175.034 -0.462 1
1 691 . 14 1 1 A 56 56 ILE CA C 53 60.971 59.974 0.997 1
1 692 . 14 1 1 A 56 56 ILE CB C 53 41.388 41.925 -0.537 1
1 696 . 14 1 1 A 56 56 ILE N N 53 120.315 121.556 -1.241 1
1 697 . 14 1 1 A 57 57 LYS H H 54 8.755 9.125 -0.370 1
1 698 . 14 1 1 A 57 57 LYS HA H 54 5.043 5.162 -0.119 1
1 707 . 14 1 1 A 57 57 LYS C C 54 175.193 175.126 0.067 1
1 708 . 14 1 1 A 57 57 LYS CA C 54 54.359 54.754 -0.395 1
1 709 . 14 1 1 A 57 57 LYS CB C 54 35.482 34.868 0.614 1
1 713 . 14 1 1 A 57 57 LYS N N 54 125.616 125.256 0.360 1
1 714 . 14 1 1 A 58 58 LEU H H 55 8.449 8.965 -0.516 1
1 715 . 14 1 1 A 58 58 LEU HA H 55 4.796 4.353 0.443 1
1 725 . 14 1 1 A 58 58 LEU CA C 55 53.201 55.878 -2.677 1
1 726 . 14 1 1 A 58 58 LEU CB C 55 41.669 43.081 -1.412 1
1 730 . 14 1 1 A 58 58 LEU N N 55 124.214 126.399 -2.185 1
1 731 . 14 1 1 A 59 59 ARG HA H 56 4.008 3.998 0.010 1
1 738 . 14 1 1 A 59 59 ARG CA C 56 57.420 59.927 -2.507 1
1 739 . 14 1 1 A 59 59 ARG CB C 56 29.575 29.896 -0.321 1
1 742 . 14 1 1 A 60 60 SER HA H 57 4.246 4.446 -0.200 1
1 745 . 14 1 1 A 60 60 SER CA C 57 59.798 60.623 -0.825 1
1 746 . 14 1 1 A 60 60 SER CB C 57 63.045 63.493 -0.448 1
1 747 . 14 1 1 A 61 61 SER HA H 58 4.616 4.879 -0.263 1
1 750 . 14 1 1 A 61 61 SER C C 58 175.155 174.770 0.385 1
1 751 . 14 1 1 A 61 61 SER CA C 58 58.010 57.236 0.774 1
1 752 . 14 1 1 A 61 61 SER CB C 58 64.452 65.846 -1.394 1
1 753 . 14 1 1 A 62 62 GLY H H 59 8.217 8.722 -0.505 1
1 754 . 14 1 1 A 62 62 GLY HA2 H 59 3.926 3.804 0.122 1
1 755 . 14 1 1 A 62 62 GLY HA3 H 59 4.010 3.854 0.156 1
1 756 . 14 1 1 A 62 62 GLY C C 59 174.407 173.413 0.994 1
1 757 . 14 1 1 A 62 62 GLY CA C 59 45.888 47.349 -1.461 1
1 758 . 14 1 1 A 62 62 GLY N N 59 109.272 110.860 -1.588 1
1 759 . 14 1 1 A 63 63 TYR H H 60 7.463 8.668 -1.205 1
1 760 . 14 1 1 A 63 63 TYR HA H 60 4.629 5.238 -0.609 1
1 767 . 14 1 1 A 63 63 TYR C C 60 175.117 175.373 -0.256 1
1 768 . 14 1 1 A 63 63 TYR CA C 60 59.857 56.882 2.975 1
1 769 . 14 1 1 A 63 63 TYR CB C 60 41.388 41.520 -0.132 1
1 770 . 14 1 1 A 63 63 TYR N N 60 117.638 121.265 -3.627 1
1 771 . 14 1 1 A 64 64 ARG H H 61 9.261 9.261 0.000 1
1 772 . 14 1 1 A 64 64 ARG HA H 61 5.458 5.739 -0.281 1
1 779 . 14 1 1 A 64 64 ARG C C 61 173.596 174.490 -0.894 1
1 780 . 14 1 1 A 64 64 ARG CA C 61 53.880 54.817 -0.937 1
1 781 . 14 1 1 A 64 64 ARG CB C 61 34.357 34.222 0.135 1
1 784 . 14 1 1 A 64 64 ARG N N 61 119.605 121.861 -2.256 1
1 785 . 14 1 1 A 65 65 LEU H H 62 9.085 9.169 -0.084 1
1 786 . 14 1 1 A 65 65 LEU HA H 62 5.432 5.443 -0.011 1
1 796 . 14 1 1 A 65 65 LEU C C 62 174.534 174.428 0.106 1
1 797 . 14 1 1 A 65 65 LEU CA C 62 53.795 53.457 0.338 1
1 798 . 14 1 1 A 65 65 LEU CB C 62 46.732 45.908 0.824 1
1 802 . 14 1 1 A 65 65 LEU N N 62 125.189 125.458 -0.269 1
1 803 . 14 1 1 A 66 66 VAL H H 63 9.058 9.158 -0.100 1
1 804 . 14 1 1 A 66 66 VAL HA H 63 4.991 5.059 -0.068 1
1 812 . 14 1 1 A 66 66 VAL C C 63 174.699 174.855 -0.156 1
1 813 . 14 1 1 A 66 66 VAL CA C 63 60.795 60.581 0.214 1
1 814 . 14 1 1 A 66 66 VAL CB C 63 34.075 34.101 -0.026 1
1 817 . 14 1 1 A 66 66 VAL N N 63 125.140 125.411 -0.271 1
1 818 . 14 1 1 A 67 67 TYR H H 64 9.091 8.555 0.536 1
1 819 . 14 1 1 A 67 67 TYR HA H 64 5.659 5.514 0.145 1
1 826 . 14 1 1 A 67 67 TYR C C 64 170.910 173.089 -2.179 1
1 827 . 14 1 1 A 67 67 TYR CA C 64 54.286 55.117 -0.831 1
1 828 . 14 1 1 A 67 67 TYR CB C 64 41.951 42.035 -0.084 1
1 829 . 14 1 1 A 67 67 TYR N N 64 124.150 123.629 0.521 1
1 830 . 14 1 1 A 68 68 GLN H H 65 9.814 9.300 0.514 1
1 831 . 14 1 1 A 68 68 GLN HA H 65 5.510 5.181 0.329 1
1 838 . 14 1 1 A 68 68 GLN C C 65 175.725 174.758 0.967 1
1 839 . 14 1 1 A 68 68 GLN CA C 65 53.092 54.569 -1.477 1
1 840 . 14 1 1 A 68 68 GLN CB C 65 32.600 31.213 1.387 1
1 842 . 14 1 1 A 68 68 GLN N N 65 123.050 119.117 3.933 1
1 844 . 14 1 1 A 69 69 VAL H H 66 9.198 9.272 -0.074 1
1 845 . 14 1 1 A 69 69 VAL HA H 66 4.369 4.495 -0.126 1
1 853 . 14 1 1 A 69 69 VAL C C 66 175.357 175.267 0.090 1
1 854 . 14 1 1 A 69 69 VAL CA C 66 63.045 62.632 0.413 1
1 855 . 14 1 1 A 69 69 VAL CB C 66 32.669 32.015 0.654 1
1 858 . 14 1 1 A 69 69 VAL N N 66 127.343 124.369 2.974 1
1 859 . 14 1 1 A 70 70 ILE H H 67 9.241 9.476 -0.235 1
1 860 . 14 1 1 A 70 70 ILE HA H 67 4.471 4.432 0.039 1
1 870 . 14 1 1 A 70 70 ILE C C 67 177.081 175.470 1.611 1
1 871 . 14 1 1 A 70 70 ILE CA C 67 59.716 61.129 -1.413 1
1 872 . 14 1 1 A 70 70 ILE CB C 67 37.169 36.995 0.174 1
1 876 . 14 1 1 A 70 70 ILE N N 67 129.254 127.888 1.366 1
1 877 . 14 1 1 A 71 71 ASP H H 68 9.374 8.464 0.910 1
1 878 . 14 1 1 A 71 71 ASP HA H 68 4.574 4.617 -0.043 1
1 881 . 14 1 1 A 71 71 ASP C C 68 179.868 178.474 1.394 1
1 882 . 14 1 1 A 71 71 ASP CA C 68 58.797 57.095 1.702 1
1 883 . 14 1 1 A 71 71 ASP CB C 68 40.544 40.609 -0.065 1
1 884 . 14 1 1 A 71 71 ASP N N 68 129.133 127.857 1.276 1
1 885 . 14 1 1 A 72 72 GLU H H 69 9.631 8.290 1.341 1
1 886 . 14 1 1 A 72 72 GLU HA H 69 4.088 4.107 -0.019 1
1 891 . 14 1 1 A 72 72 GLU C C 69 176.865 177.800 -0.935 1
1 892 . 14 1 1 A 72 72 GLU CA C 69 59.670 59.090 0.580 1
1 893 . 14 1 1 A 72 72 GLU CB C 69 29.100 29.785 -0.685 1
1 895 . 14 1 1 A 72 72 GLU N N 69 118.880 120.349 -1.469 1
1 896 . 14 1 1 A 73 73 LYS H H 70 6.582 7.698 -1.116 1
1 897 . 14 1 1 A 73 73 LYS HA H 70 4.474 4.375 0.099 1
1 906 . 14 1 1 A 73 73 LYS C C 70 173.964 175.395 -1.431 1
1 907 . 14 1 1 A 73 73 LYS CA C 70 54.604 55.656 -1.052 1
1 908 . 14 1 1 A 73 73 LYS CB C 70 34.075 33.110 0.965 1
1 912 . 14 1 1 A 73 73 LYS N N 70 114.014 116.933 -2.919 1
1 913 . 14 1 1 A 74 74 VAL H H 71 7.791 7.660 0.131 1
1 914 . 14 1 1 A 74 74 VAL HA H 71 2.948 3.387 -0.439 1
1 922 . 14 1 1 A 74 74 VAL C C 71 173.381 174.253 -0.872 1
1 923 . 14 1 1 A 74 74 VAL CA C 71 63.045 63.496 -0.451 1
1 924 . 14 1 1 A 74 74 VAL CB C 71 29.013 29.352 -0.339 1
1 927 . 14 1 1 A 74 74 VAL N N 71 119.301 116.384 2.917 1
1 928 . 14 1 1 A 75 75 VAL H H 72 7.736 7.949 -0.213 1
1 929 . 14 1 1 A 75 75 VAL HA H 72 5.159 5.044 0.115 1
1 937 . 14 1 1 A 75 75 VAL C C 72 175.028 173.864 1.164 1
1 938 . 14 1 1 A 75 75 VAL CA C 72 59.839 60.416 -0.577 1
1 939 . 14 1 1 A 75 75 VAL CB C 72 37.732 35.841 1.891 1
1 942 . 14 1 1 A 75 75 VAL N N 72 116.865 120.013 -3.148 1
1 943 . 14 1 1 A 76 76 VAL H H 73 9.006 9.325 -0.319 1
1 944 . 14 1 1 A 76 76 VAL HA H 73 4.190 4.636 -0.446 1
1 952 . 14 1 1 A 76 76 VAL C C 73 172.177 174.604 -2.427 1
1 953 . 14 1 1 A 76 76 VAL CA C 73 62.473 61.163 1.310 1
1 954 . 14 1 1 A 76 76 VAL CB C 73 32.388 32.064 0.324 1
1 957 . 14 1 1 A 76 76 VAL N N 73 128.675 127.986 0.689 1
1 958 . 14 1 1 A 77 77 PHE H H 74 9.468 9.427 0.041 1
1 959 . 14 1 1 A 77 77 PHE HA H 74 5.019 5.435 -0.416 1
1 966 . 14 1 1 A 77 77 PHE C C 74 174.420 173.979 0.441 1
1 967 . 14 1 1 A 77 77 PHE CA C 74 54.378 55.371 -0.993 1
1 968 . 14 1 1 A 77 77 PHE CB C 74 42.230 40.873 1.357 1
1 969 . 14 1 1 A 77 77 PHE N N 74 130.014 128.593 1.421 1
1 970 . 14 1 1 A 78 78 VAL H H 75 8.990 8.833 0.157 1
1 971 . 14 1 1 A 78 78 VAL HA H 75 3.645 3.993 -0.348 1
1 979 . 14 1 1 A 78 78 VAL C C 75 174.813 175.364 -0.551 1
1 980 . 14 1 1 A 78 78 VAL CA C 75 64.452 63.459 0.993 1
1 981 . 14 1 1 A 78 78 VAL CB C 75 31.009 31.202 -0.193 1
1 984 . 14 1 1 A 78 78 VAL N N 75 128.474 127.334 1.140 1
1 985 . 14 1 1 A 79 79 ILE H H 76 8.679 9.068 -0.389 1
1 986 . 14 1 1 A 79 79 ILE HA H 76 4.171 4.017 0.154 1
1 996 . 14 1 1 A 79 79 ILE C C 76 176.092 176.003 0.089 1
1 997 . 14 1 1 A 79 79 ILE CA C 76 61.635 62.385 -0.750 1
1 998 . 14 1 1 A 79 79 ILE CB C 76 39.982 38.357 1.625 1
1 1002 . 14 1 1 A 79 79 ILE N N 76 122.334 128.804 -6.470 1
1 1003 . 14 1 1 A 80 80 SER H H 77 7.614 7.460 0.154 1
1 1004 . 14 1 1 A 80 80 SER HA H 77 4.724 4.800 -0.076 1
1 1007 . 14 1 1 A 80 80 SER C C 77 172.545 171.915 0.630 1
1 1008 . 14 1 1 A 80 80 SER CA C 77 57.849 57.426 0.423 1
1 1009 . 14 1 1 A 80 80 SER CB C 77 64.733 65.258 -0.525 1
1 1010 . 14 1 1 A 80 80 SER N N 77 113.369 112.410 0.959 1
1 1011 . 14 1 1 A 81 81 VAL H H 78 8.814 8.749 0.065 1
1 1012 . 14 1 1 A 81 81 VAL HA H 78 5.102 5.144 -0.042 1
1 1020 . 14 1 1 A 81 81 VAL C C 78 173.761 174.583 -0.822 1
1 1021 . 14 1 1 A 81 81 VAL CA C 78 61.004 59.876 1.128 1
1 1022 . 14 1 1 A 81 81 VAL CB C 78 34.638 36.102 -1.464 1
1 1025 . 14 1 1 A 81 81 VAL N N 78 123.792 123.183 0.609 1
1 1026 . 14 1 1 A 82 82 GLY H H 79 8.628 8.707 -0.079 1
1 1027 . 14 1 1 A 82 82 GLY HA2 H 79 4.365 4.344 0.021 1
1 1028 . 14 1 1 A 82 82 GLY HA3 H 79 4.214 4.524 -0.310 1
1 1029 . 14 1 1 A 82 82 GLY C C 79 171.201 172.225 -1.024 1
1 1030 . 14 1 1 A 82 82 GLY CA C 79 45.606 45.310 0.296 1
1 1031 . 14 1 1 A 82 82 GLY N N 79 111.112 113.244 -2.132 1
1 1032 . 14 1 1 A 83 83 LYS H H 80 8.670 8.295 0.375 1
1 1033 . 14 1 1 A 83 83 LYS HA H 80 4.205 4.729 -0.524 1
1 1042 . 14 1 1 A 83 83 LYS C C 80 176.080 175.327 0.753 1
1 1043 . 14 1 1 A 83 83 LYS CA C 80 55.451 54.857 0.594 1
1 1044 . 14 1 1 A 83 83 LYS CB C 80 32.665 32.073 0.592 1
1 1048 . 14 1 1 A 83 83 LYS N N 80 120.943 122.829 -1.886 1
1 1049 . 14 1 1 A 84 84 ALA H H 81 8.049 8.683 -0.634 1
1 1050 . 14 1 1 A 84 84 ALA HA H 81 4.182 4.572 -0.390 1
1 1054 . 14 1 1 A 84 84 ALA C C 81 176.941 178.188 -1.247 1
1 1055 . 14 1 1 A 84 84 ALA CA C 81 52.248 51.545 0.703 1
1 1056 . 14 1 1 A 84 84 ALA CB C 81 19.450 19.516 -0.066 1
1 1057 . 14 1 1 A 84 84 ALA N N 81 125.262 128.166 -2.904 1
1 1058 . 14 1 1 A 85 85 GLU H H 82 8.460 8.867 -0.407 1
1 1059 . 14 1 1 A 85 85 GLU HA H 82 4.230 4.094 0.136 1
1 1064 . 14 1 1 A 85 85 GLU C C 82 176.599 176.983 -0.384 1
1 1065 . 14 1 1 A 85 85 GLU CA C 82 56.446 59.002 -2.556 1
1 1066 . 14 1 1 A 85 85 GLU CB C 82 29.853 28.894 0.959 1
1 1068 . 14 1 1 A 85 85 GLU N N 82 119.296 124.055 -4.759 1
1 1069 . 14 1 1 A 86 86 ALA H H 83 8.403 7.892 0.511 1
1 1070 . 14 1 1 A 86 86 ALA HA H 83 4.149 4.456 -0.307 1
1 1074 . 14 1 1 A 86 86 ALA C C 83 177.777 177.887 -0.110 1
1 1075 . 14 1 1 A 86 86 ALA CA C 83 53.448 53.550 -0.102 1
1 1076 . 14 1 1 A 86 86 ALA CB C 83 18.887 20.878 -1.991 1
1 1077 . 14 1 1 A 86 86 ALA N N 83 124.833 120.655 4.178 1
1 1078 . 14 1 1 A 87 87 SER H H 84 8.301 8.397 -0.096 1
1 1079 . 14 1 1 A 87 87 SER HA H 84 4.297 4.485 -0.188 1
1 1082 . 14 1 1 A 87 87 SER C C 84 175.370 175.512 -0.142 1
1 1083 . 14 1 1 A 87 87 SER N N 84 113.395 113.578 -0.183 1
1 1084 . 14 1 1 A 88 88 GLU H H 85 8.271 8.550 -0.279 1
1 1085 . 14 1 1 A 88 88 GLU HA H 85 4.239 4.057 0.182 1
1 1090 . 14 1 1 A 88 88 GLU C C 85 177.081 178.695 -1.614 1
1 1091 . 14 1 1 A 88 88 GLU CA C 85 57.140 59.279 -2.139 1
1 1092 . 14 1 1 A 88 88 GLU CB C 85 29.856 29.529 0.327 1
1 1094 . 14 1 1 A 88 88 GLU N N 85 122.554 121.849 0.705 1
1 1095 . 14 1 1 A 89 89 VAL H H 86 7.833 7.870 -0.037 1
1 1096 . 14 1 1 A 89 89 VAL HA H 86 3.895 3.845 0.050 1
1 1104 . 14 1 1 A 89 89 VAL C C 86 177.172 177.961 -0.789 1
1 1105 . 14 1 1 A 89 89 VAL CA C 86 63.045 65.752 -2.707 1
1 1106 . 14 1 1 A 89 89 VAL CB C 86 32.107 31.410 0.697 1
1 1109 . 14 1 1 A 89 89 VAL N N 86 119.916 118.968 0.948 1
1 1110 . 14 1 1 A 90 90 TYR H H 87 8.142 8.199 -0.057 1
1 1111 . 14 1 1 A 90 90 TYR HA H 87 4.479 4.326 0.153 1
1 1118 . 14 1 1 A 90 90 TYR C C 87 176.637 178.173 -1.536 1
1 1119 . 14 1 1 A 90 90 TYR CA C 87 58.545 60.263 -1.718 1
1 1120 . 14 1 1 A 90 90 TYR CB C 87 37.732 37.274 0.458 1
1 1121 . 14 1 1 A 90 90 TYR N N 87 122.303 122.068 0.235 1
1 1122 . 14 1 1 A 91 91 SER H H 88 8.090 8.289 -0.199 1
1 1123 . 14 1 1 A 91 91 SER HA H 88 4.335 4.299 0.036 1
1 1126 . 14 1 1 A 91 91 SER C C 88 176.130 177.013 -0.883 1
1 1127 . 14 1 1 A 91 91 SER CA C 88 59.899 61.693 -1.794 1
1 1128 . 14 1 1 A 91 91 SER CB C 88 62.483 62.968 -0.485 1
1 1129 . 14 1 1 A 91 91 SER N N 88 115.828 115.523 0.305 1
1 1130 . 14 1 1 A 92 92 GLU H H 89 8.234 7.677 0.557 1
1 1131 . 14 1 1 A 92 92 GLU HA H 89 4.213 3.999 0.214 1
1 1136 . 14 1 1 A 92 92 GLU C C 89 177.600 178.949 -1.349 1
1 1137 . 14 1 1 A 92 92 GLU CA C 89 57.701 58.959 -1.258 1
1 1138 . 14 1 1 A 92 92 GLU CB C 89 29.575 29.411 0.164 1
1 1140 . 14 1 1 A 92 92 GLU N N 89 121.225 121.629 -0.404 1
1 1141 . 14 1 1 A 93 93 ALA H H 90 7.960 7.866 0.094 1
1 1142 . 14 1 1 A 93 93 ALA HA H 90 4.025 4.093 -0.068 1
1 1146 . 14 1 1 A 93 93 ALA C C 90 178.550 178.860 -0.310 1
1 1147 . 14 1 1 A 93 93 ALA CA C 90 54.225 54.930 -0.705 1
1 1148 . 14 1 1 A 93 93 ALA CB C 90 18.325 18.992 -0.667 1
1 1149 . 14 1 1 A 93 93 ALA N N 90 122.055 122.311 -0.256 1
1 1150 . 14 1 1 A 94 94 VAL H H 91 7.799 8.467 -0.668 1
1 1151 . 14 1 1 A 94 94 VAL HA H 91 3.818 3.828 -0.010 1
1 1159 . 14 1 1 A 94 94 VAL CA C 91 64.167 65.215 -1.048 1
1 1160 . 14 1 1 A 94 94 VAL CB C 91 31.825 31.287 0.538 1
1 1163 . 14 1 1 A 94 94 VAL N N 91 115.727 117.375 -1.648 1
1 1164 . 14 1 1 A 95 95 LYS H H 92 7.764 7.843 -0.079 1
1 1165 . 14 1 1 A 95 95 LYS HA H 92 4.197 4.126 0.071 1
1 1174 . 14 1 1 A 95 95 LYS C C 92 177.600 178.745 -1.145 1
1 1175 . 14 1 1 A 95 95 LYS CA C 92 57.139 59.527 -2.388 1
1 1176 . 14 1 1 A 95 95 LYS CB C 92 32.600 32.518 0.082 1
1 1180 . 14 1 1 A 95 95 LYS N N 92 120.823 122.007 -1.184 1
1 1181 . 14 1 1 A 96 96 ARG H H 93 7.970 7.279 0.691 1
1 1182 . 14 1 1 A 96 96 ARG HA H 93 4.341 4.304 0.037 1
1 1189 . 14 1 1 A 96 96 ARG C C 93 179.703 177.171 2.532 1
1 1190 . 14 1 1 A 96 96 ARG CA C 93 56.295 58.006 -1.711 1
1 1191 . 14 1 1 A 96 96 ARG CB C 93 31.400 30.994 0.406 1
1 1194 . 14 1 1 A 96 96 ARG N N 93 119.070 117.096 1.974 1
1 1195 . 14 1 1 A 97 97 ILE H H 94 8.012 7.869 0.143 1
1 1196 . 14 1 1 A 97 97 ILE HA H 94 4.216 4.063 0.153 1
1 1206 . 14 1 1 A 97 97 ILE C C 94 175.509 174.883 0.626 1
1 1207 . 14 1 1 A 97 97 ILE CA C 94 61.362 61.373 -0.011 1
1 1208 . 14 1 1 A 97 97 ILE CB C 94 38.576 37.532 1.044 1
1 1212 . 14 1 1 A 97 97 ILE N N 94 120.512 120.498 0.014 1
1 16 . 15 1 1 A 5 5 ALA H H 2 8.084 8.605 -0.521 1
1 17 . 15 1 1 A 5 5 ALA HA H 2 4.423 5.704 -1.281 1
1 21 . 15 1 1 A 5 5 ALA C C 2 176.536 176.671 -0.135 1
1 22 . 15 1 1 A 5 5 ALA CA C 2 51.634 50.077 1.557 1
1 23 . 15 1 1 A 5 5 ALA CB C 2 19.439 20.520 -1.081 1
1 24 . 15 1 1 A 5 5 ALA N N 2 125.284 125.732 -0.448 1
1 25 . 15 1 1 A 6 6 TYR H H 3 8.406 9.184 -0.778 1
1 26 . 15 1 1 A 6 6 TYR HA H 3 4.312 4.676 -0.364 1
1 33 . 15 1 1 A 6 6 TYR C C 3 175.433 175.411 0.022 1
1 34 . 15 1 1 A 6 6 TYR CA C 3 57.701 57.651 0.050 1
1 35 . 15 1 1 A 6 6 TYR CB C 3 39.701 40.386 -0.685 1
1 36 . 15 1 1 A 6 6 TYR N N 3 120.887 121.584 -0.697 1
1 37 . 15 1 1 A 7 7 PHE H H 4 8.703 9.360 -0.657 1
1 38 . 15 1 1 A 7 7 PHE HA H 4 4.645 5.056 -0.411 1
1 45 . 15 1 1 A 7 7 PHE C C 4 173.812 174.498 -0.686 1
1 46 . 15 1 1 A 7 7 PHE CA C 4 56.853 57.495 -0.642 1
1 47 . 15 1 1 A 7 7 PHE CB C 4 40.541 41.337 -0.796 1
1 48 . 15 1 1 A 7 7 PHE N N 4 119.295 119.844 -0.549 1
1 49 . 15 1 1 A 8 8 LEU H H 5 8.255 8.722 -0.467 1
1 50 . 15 1 1 A 8 8 LEU HA H 5 4.985 5.247 -0.262 1
1 60 . 15 1 1 A 8 8 LEU C C 5 174.927 174.053 0.874 1
1 61 . 15 1 1 A 8 8 LEU CA C 5 53.544 53.527 0.017 1
1 62 . 15 1 1 A 8 8 LEU CB C 5 44.201 46.273 -2.072 1
1 66 . 15 1 1 A 8 8 LEU N N 5 124.516 122.033 2.483 1
1 67 . 15 1 1 A 9 9 ASP H H 6 9.047 8.645 0.402 1
1 68 . 15 1 1 A 9 9 ASP HA H 6 5.089 5.174 -0.085 1
1 71 . 15 1 1 A 9 9 ASP C C 6 173.216 174.125 -0.909 1
1 72 . 15 1 1 A 9 9 ASP CA C 6 52.278 52.819 -0.541 1
1 73 . 15 1 1 A 9 9 ASP CB C 6 45.326 45.187 0.139 1
1 74 . 15 1 1 A 9 9 ASP N N 6 126.171 124.018 2.153 1
1 75 . 15 1 1 A 10 10 PHE H H 7 8.891 8.810 0.081 1
1 76 . 15 1 1 A 10 10 PHE HA H 7 4.545 4.635 -0.090 1
1 83 . 15 1 1 A 10 10 PHE C C 7 175.218 174.796 0.422 1
1 84 . 15 1 1 A 10 10 PHE CA C 7 56.243 56.409 -0.166 1
1 85 . 15 1 1 A 10 10 PHE CB C 7 43.638 41.437 2.201 1
1 86 . 15 1 1 A 10 10 PHE N N 7 119.178 120.939 -1.761 1
1 87 . 15 1 1 A 11 11 ASP H H 8 8.124 8.245 -0.121 1
1 88 . 15 1 1 A 11 11 ASP HA H 8 4.551 4.523 0.028 1
1 91 . 15 1 1 A 11 11 ASP C C 8 177.157 177.316 -0.159 1
1 92 . 15 1 1 A 11 11 ASP CA C 8 54.315 54.128 0.187 1
1 93 . 15 1 1 A 11 11 ASP CB C 8 44.201 42.236 1.965 1
1 94 . 15 1 1 A 11 11 ASP N N 8 123.305 123.980 -0.675 1
1 95 . 15 1 1 A 12 12 GLU H H 9 9.197 9.011 0.186 1
1 96 . 15 1 1 A 12 12 GLU HA H 9 4.016 4.089 -0.073 1
1 101 . 15 1 1 A 12 12 GLU C C 9 178.880 178.651 0.229 1
1 102 . 15 1 1 A 12 12 GLU CA C 9 60.365 59.444 0.921 1
1 103 . 15 1 1 A 12 12 GLU CB C 9 29.670 29.248 0.422 1
1 105 . 15 1 1 A 12 12 GLU N N 9 127.082 123.044 4.038 1
1 106 . 15 1 1 A 13 13 ARG H H 10 8.949 8.372 0.577 1
1 107 . 15 1 1 A 13 13 ARG HA H 10 4.097 4.034 0.063 1
1 114 . 15 1 1 A 13 13 ARG C C 10 179.273 178.949 0.324 1
1 115 . 15 1 1 A 13 13 ARG CA C 10 58.924 59.149 -0.225 1
1 116 . 15 1 1 A 13 13 ARG CB C 10 30.138 30.281 -0.143 1
1 119 . 15 1 1 A 13 13 ARG N N 10 119.265 119.442 -0.177 1
1 120 . 15 1 1 A 14 14 ALA H H 11 7.451 8.177 -0.726 1
1 121 . 15 1 1 A 14 14 ALA HA H 11 4.685 4.189 0.496 1
1 125 . 15 1 1 A 14 14 ALA C C 11 179.564 180.303 -0.739 1
1 126 . 15 1 1 A 14 14 ALA CA C 11 53.705 55.019 -1.314 1
1 127 . 15 1 1 A 14 14 ALA CB C 11 18.325 18.363 -0.038 1
1 128 . 15 1 1 A 14 14 ALA N N 11 122.421 121.988 0.433 1
1 129 . 15 1 1 A 15 15 LEU H H 12 8.683 8.436 0.247 1
1 130 . 15 1 1 A 15 15 LEU HA H 12 3.877 3.997 -0.120 1
1 140 . 15 1 1 A 15 15 LEU C C 12 178.550 179.506 -0.956 1
1 141 . 15 1 1 A 15 15 LEU CA C 12 57.139 57.463 -0.324 1
1 142 . 15 1 1 A 15 15 LEU CB C 12 41.103 41.452 -0.349 1
1 146 . 15 1 1 A 15 15 LEU N N 12 120.118 119.600 0.518 1
1 147 . 15 1 1 A 16 16 LYS H H 13 7.345 7.872 -0.527 1
1 148 . 15 1 1 A 16 16 LYS HA H 13 3.995 3.892 0.103 1
1 157 . 15 1 1 A 16 16 LYS C C 13 179.678 179.717 -0.039 1
1 158 . 15 1 1 A 16 16 LYS CA C 13 59.700 60.499 -0.799 1
1 159 . 15 1 1 A 16 16 LYS CB C 13 32.388 32.157 0.231 1
1 163 . 15 1 1 A 16 16 LYS N N 13 117.725 118.631 -0.906 1
1 164 . 15 1 1 A 17 17 GLU H H 14 7.453 7.704 -0.251 1
1 165 . 15 1 1 A 17 17 GLU HA H 14 4.016 4.100 -0.084 1
1 170 . 15 1 1 A 17 17 GLU C C 14 179.589 179.077 0.512 1
1 171 . 15 1 1 A 17 17 GLU CA C 14 58.841 59.119 -0.278 1
1 172 . 15 1 1 A 17 17 GLU CB C 14 29.298 29.373 -0.075 1
1 174 . 15 1 1 A 17 17 GLU N N 14 118.019 119.442 -1.423 1
1 175 . 15 1 1 A 18 18 TRP H H 15 9.081 8.632 0.449 1
1 176 . 15 1 1 A 18 18 TRP HA H 15 4.174 4.180 -0.006 1
1 183 . 15 1 1 A 18 18 TRP C C 15 178.360 178.183 0.177 1
1 184 . 15 1 1 A 18 18 TRP CA C 15 59.938 61.022 -1.084 1
1 185 . 15 1 1 A 18 18 TRP CB C 15 30.241 29.554 0.687 1
1 186 . 15 1 1 A 18 18 TRP N N 15 122.628 121.972 0.656 1
1 188 . 15 1 1 A 19 19 ARG H H 16 8.197 8.102 0.095 1
1 189 . 15 1 1 A 19 19 ARG HA H 16 3.863 4.194 -0.331 1
1 196 . 15 1 1 A 19 19 ARG C C 16 177.030 178.602 -1.572 1
1 197 . 15 1 1 A 19 19 ARG CA C 16 58.516 58.632 -0.116 1
1 198 . 15 1 1 A 19 19 ARG CB C 16 30.300 30.175 0.125 1
1 201 . 15 1 1 A 19 19 ARG N N 16 115.582 118.539 -2.957 1
1 202 . 15 1 1 A 20 20 LYS H H 17 7.308 7.566 -0.258 1
1 203 . 15 1 1 A 20 20 LYS HA H 17 4.238 4.150 0.088 1
1 212 . 15 1 1 A 20 20 LYS C C 17 177.043 177.057 -0.014 1
1 213 . 15 1 1 A 20 20 LYS CA C 17 56.270 58.687 -2.417 1
1 214 . 15 1 1 A 20 20 LYS CB C 17 32.300 32.144 0.156 1
1 218 . 15 1 1 A 20 20 LYS N N 17 116.689 119.590 -2.901 1
1 219 . 15 1 1 A 21 21 LEU H H 18 6.998 7.286 -0.288 1
1 220 . 15 1 1 A 21 21 LEU HA H 18 4.026 4.201 -0.175 1
1 230 . 15 1 1 A 21 21 LEU C C 18 177.676 177.400 0.276 1
1 231 . 15 1 1 A 21 21 LEU CA C 18 54.567 54.606 -0.039 1
1 232 . 15 1 1 A 21 21 LEU CB C 18 43.357 41.890 1.467 1
1 236 . 15 1 1 A 21 21 LEU N N 18 118.778 122.004 -3.226 1
1 237 . 15 1 1 A 22 22 GLY H H 19 8.370 8.287 0.083 1
1 238 . 15 1 1 A 22 22 GLY HA2 H 19 4.064 3.929 0.135 1
1 239 . 15 1 1 A 22 22 GLY HA3 H 19 3.845 3.953 -0.108 1
1 240 . 15 1 1 A 22 22 GLY C C 19 174.813 174.805 0.008 1
1 241 . 15 1 1 A 22 22 GLY CA C 19 45.045 45.343 -0.298 1
1 242 . 15 1 1 A 22 22 GLY N N 19 107.490 109.069 -1.579 1
1 243 . 15 1 1 A 23 23 SER H H 20 8.675 8.911 -0.236 1
1 244 . 15 1 1 A 23 23 SER HA H 20 4.288 3.983 0.305 1
1 247 . 15 1 1 A 23 23 SER CA C 20 58.981 61.864 -2.883 1
1 248 . 15 1 1 A 23 23 SER CB C 20 63.045 62.475 0.570 1
1 249 . 15 1 1 A 23 23 SER N N 20 117.877 118.142 -0.265 1
1 250 . 15 1 1 A 24 24 THR H H 21 8.216 7.804 0.412 1
1 251 . 15 1 1 A 24 24 THR HA H 21 3.983 3.926 0.057 1
1 256 . 15 1 1 A 24 24 THR C C 21 176.510 176.664 -0.154 1
1 257 . 15 1 1 A 24 24 THR CA C 21 65.858 66.316 -0.458 1
1 258 . 15 1 1 A 24 24 THR CB C 21 67.941 67.842 0.099 1
1 260 . 15 1 1 A 24 24 THR N N 21 115.680 116.617 -0.937 1
1 261 . 15 1 1 A 25 25 VAL H H 22 7.143 8.037 -0.894 1
1 262 . 15 1 1 A 25 25 VAL HA H 22 3.545 3.366 0.179 1
1 270 . 15 1 1 A 25 25 VAL C C 22 177.613 177.582 0.031 1
1 271 . 15 1 1 A 25 25 VAL CA C 22 65.577 66.730 -1.153 1
1 272 . 15 1 1 A 25 25 VAL CB C 22 31.544 31.088 0.456 1
1 275 . 15 1 1 A 25 25 VAL N N 22 122.443 121.704 0.739 1
1 276 . 15 1 1 A 26 26 ARG H H 23 7.840 8.189 -0.349 1
1 277 . 15 1 1 A 26 26 ARG HA H 23 3.156 3.551 -0.395 1
1 284 . 15 1 1 A 26 26 ARG C C 23 177.790 178.175 -0.385 1
1 285 . 15 1 1 A 26 26 ARG CA C 23 59.951 58.347 1.604 1
1 286 . 15 1 1 A 26 26 ARG CB C 23 29.590 28.938 0.652 1
1 289 . 15 1 1 A 26 26 ARG N N 23 119.146 119.623 -0.477 1
1 290 . 15 1 1 A 27 27 GLU H H 24 8.159 8.402 -0.243 1
1 291 . 15 1 1 A 27 27 GLU HA H 24 3.970 4.081 -0.111 1
1 296 . 15 1 1 A 27 27 GLU C C 24 179.577 179.648 -0.071 1
1 297 . 15 1 1 A 27 27 GLU CA C 24 59.400 59.396 0.004 1
1 298 . 15 1 1 A 27 27 GLU CB C 24 29.013 29.146 -0.133 1
1 300 . 15 1 1 A 27 27 GLU N N 24 116.672 118.236 -1.564 1
1 301 . 15 1 1 A 28 28 GLN H H 25 7.693 7.495 0.198 1
1 302 . 15 1 1 A 28 28 GLN HA H 25 4.094 4.057 0.037 1
1 309 . 15 1 1 A 28 28 GLN C C 25 179.919 179.347 0.572 1
1 310 . 15 1 1 A 28 28 GLN CA C 25 59.108 58.497 0.611 1
1 311 . 15 1 1 A 28 28 GLN CB C 25 29.575 28.410 1.165 1
1 313 . 15 1 1 A 28 28 GLN N N 25 118.482 119.548 -1.066 1
1 315 . 15 1 1 A 29 29 LEU H H 26 8.441 8.143 0.298 1
1 316 . 15 1 1 A 29 29 LEU HA H 26 4.096 4.127 -0.031 1
1 326 . 15 1 1 A 29 29 LEU C C 26 178.804 179.188 -0.384 1
1 327 . 15 1 1 A 29 29 LEU CA C 26 57.983 58.077 -0.094 1
1 328 . 15 1 1 A 29 29 LEU CB C 26 42.513 41.353 1.160 1
1 332 . 15 1 1 A 29 29 LEU N N 26 119.907 120.179 -0.272 1
1 333 . 15 1 1 A 30 30 LYS H H 27 9.233 8.889 0.344 1
1 334 . 15 1 1 A 30 30 LYS HA H 27 4.076 4.229 -0.153 1
1 343 . 15 1 1 A 30 30 LYS C C 27 178.056 178.669 -0.613 1
1 344 . 15 1 1 A 30 30 LYS CA C 27 60.233 59.913 0.320 1
1 345 . 15 1 1 A 30 30 LYS CB C 27 32.103 32.525 -0.422 1
1 349 . 15 1 1 A 30 30 LYS N N 27 120.508 120.501 0.007 1
1 350 . 15 1 1 A 31 31 LYS H H 28 7.698 7.946 -0.248 1
1 351 . 15 1 1 A 31 31 LYS HA H 28 4.056 4.109 -0.053 1
1 360 . 15 1 1 A 31 31 LYS C C 28 179.539 179.754 -0.215 1
1 361 . 15 1 1 A 31 31 LYS CA C 28 59.596 59.829 -0.233 1
1 362 . 15 1 1 A 31 31 LYS CB C 28 32.400 32.115 0.285 1
1 366 . 15 1 1 A 31 31 LYS N N 28 117.412 117.859 -0.447 1
1 367 . 15 1 1 A 32 32 LYS H H 29 7.347 7.536 -0.189 1
1 368 . 15 1 1 A 32 32 LYS HA H 29 4.230 4.024 0.206 1
1 377 . 15 1 1 A 32 32 LYS C C 29 179.057 179.265 -0.208 1
1 378 . 15 1 1 A 32 32 LYS CA C 29 57.553 59.610 -2.057 1
1 379 . 15 1 1 A 32 32 LYS CB C 29 32.103 32.555 -0.452 1
1 383 . 15 1 1 A 32 32 LYS N N 29 116.983 119.968 -2.985 1
1 384 . 15 1 1 A 33 33 LEU H H 30 8.663 8.148 0.515 1
1 385 . 15 1 1 A 33 33 LEU HA H 30 3.844 3.989 -0.145 1
1 395 . 15 1 1 A 33 33 LEU C C 30 177.765 178.916 -1.151 1
1 396 . 15 1 1 A 33 33 LEU CA C 30 57.420 57.940 -0.520 1
1 397 . 15 1 1 A 33 33 LEU CB C 30 42.513 41.789 0.724 1
1 401 . 15 1 1 A 33 33 LEU N N 30 121.134 120.020 1.114 1
1 402 . 15 1 1 A 34 34 VAL H H 31 8.185 8.321 -0.136 1
1 403 . 15 1 1 A 34 34 VAL HA H 31 3.548 3.486 0.062 1
1 411 . 15 1 1 A 34 34 VAL C C 31 178.639 177.975 0.664 1
1 412 . 15 1 1 A 34 34 VAL CA C 31 66.702 66.865 -0.163 1
1 413 . 15 1 1 A 34 34 VAL CB C 31 31.544 30.968 0.576 1
1 416 . 15 1 1 A 34 34 VAL N N 31 117.076 118.544 -1.468 1
1 417 . 15 1 1 A 35 35 GLU H H 32 7.143 8.391 -1.248 1
1 418 . 15 1 1 A 35 35 GLU HA H 32 4.093 4.065 0.028 1
1 423 . 15 1 1 A 35 35 GLU C C 32 179.450 178.769 0.681 1
1 424 . 15 1 1 A 35 35 GLU CA C 32 58.264 59.091 -0.827 1
1 425 . 15 1 1 A 35 35 GLU CB C 32 29.575 29.205 0.370 1
1 427 . 15 1 1 A 35 35 GLU N N 32 117.290 119.455 -2.165 1
1 428 . 15 1 1 A 36 36 VAL H H 33 7.659 8.271 -0.612 1
1 429 . 15 1 1 A 36 36 VAL HA H 33 3.774 3.830 -0.056 1
1 437 . 15 1 1 A 36 36 VAL C C 33 176.929 177.591 -0.662 1
1 438 . 15 1 1 A 36 36 VAL CA C 33 63.889 64.960 -1.071 1
1 439 . 15 1 1 A 36 36 VAL CB C 33 31.825 31.260 0.565 1
1 442 . 15 1 1 A 36 36 VAL N N 33 118.056 119.714 -1.658 1
1 443 . 15 1 1 A 37 37 LEU H H 34 7.679 7.840 -0.161 1
1 444 . 15 1 1 A 37 37 LEU HA H 34 3.619 3.896 -0.277 1
1 454 . 15 1 1 A 37 37 LEU C C 34 177.968 179.297 -1.329 1
1 455 . 15 1 1 A 37 37 LEU CA C 34 57.420 57.217 0.203 1
1 456 . 15 1 1 A 37 37 LEU CB C 34 40.263 41.435 -1.172 1
1 460 . 15 1 1 A 37 37 LEU N N 34 116.847 121.678 -4.831 1
1 461 . 15 1 1 A 38 38 GLU H H 35 7.238 8.517 -1.279 1
1 462 . 15 1 1 A 38 38 GLU HA H 35 4.295 4.235 0.060 1
1 467 . 15 1 1 A 38 38 GLU C C 35 177.853 176.720 1.133 1
1 468 . 15 1 1 A 38 38 GLU CA C 35 57.900 58.081 -0.181 1
1 469 . 15 1 1 A 38 38 GLU CB C 35 30.138 28.488 1.650 1
1 471 . 15 1 1 A 38 38 GLU N N 35 113.881 116.767 -2.886 1
1 472 . 15 1 1 A 39 39 SER H H 36 7.101 7.969 -0.868 1
1 473 . 15 1 1 A 39 39 SER HA H 36 4.518 4.804 -0.286 1
1 476 . 15 1 1 A 39 39 SER CA C 36 55.553 55.489 0.064 1
1 477 . 15 1 1 A 39 39 SER CB C 36 61.920 62.685 -0.765 1
1 478 . 15 1 1 A 39 39 SER N N 36 109.128 113.919 -4.791 1
1 479 . 15 1 1 A 40 40 PRO HA H 37 4.363 4.273 0.090 1
1 486 . 15 1 1 A 40 40 PRO C C 37 177.879 177.118 0.761 1
1 487 . 15 1 1 A 40 40 PRO CA C 37 64.705 63.763 0.942 1
1 488 . 15 1 1 A 40 40 PRO CB C 37 32.669 31.460 1.209 1
1 491 . 15 1 1 A 41 41 ARG H H 38 8.299 8.282 0.017 1
1 492 . 15 1 1 A 41 41 ARG HA H 38 3.183 4.492 -1.309 1
1 499 . 15 1 1 A 41 41 ARG C C 38 174.217 175.497 -1.280 1
1 500 . 15 1 1 A 41 41 ARG CA C 38 56.014 55.849 0.165 1
1 501 . 15 1 1 A 41 41 ARG CB C 38 29.571 29.758 -0.187 1
1 504 . 15 1 1 A 41 41 ARG N N 38 121.121 115.370 5.751 1
1 505 . 15 1 1 A 42 42 ILE H H 39 5.995 7.308 -1.313 1
1 506 . 15 1 1 A 42 42 ILE HA H 39 4.177 4.305 -0.128 1
1 516 . 15 1 1 A 42 42 ILE C C 39 176.295 177.437 -1.142 1
1 517 . 15 1 1 A 42 42 ILE CA C 39 59.389 61.245 -1.856 1
1 518 . 15 1 1 A 42 42 ILE CB C 39 39.138 37.050 2.088 1
1 522 . 15 1 1 A 42 42 ILE N N 39 128.247 121.989 6.258 1
1 523 . 15 1 1 A 43 43 GLU H H 40 8.893 8.878 0.015 1
1 524 . 15 1 1 A 43 43 GLU HA H 40 4.174 4.163 0.011 1
1 529 . 15 1 1 A 43 43 GLU C C 40 178.918 178.297 0.621 1
1 530 . 15 1 1 A 43 43 GLU CA C 40 60.336 58.968 1.368 1
1 531 . 15 1 1 A 43 43 GLU CB C 40 29.100 29.105 -0.005 1
1 533 . 15 1 1 A 43 43 GLU N N 40 130.055 127.644 2.411 1
1 534 . 15 1 1 A 44 44 ALA H H 41 8.851 7.785 1.066 1
1 535 . 15 1 1 A 44 44 ALA HA H 41 4.222 4.185 0.037 1
1 539 . 15 1 1 A 44 44 ALA C C 41 178.069 178.063 0.006 1
1 540 . 15 1 1 A 44 44 ALA CA C 41 54.148 53.880 0.268 1
1 541 . 15 1 1 A 44 44 ALA CB C 41 18.606 18.415 0.191 1
1 542 . 15 1 1 A 44 44 ALA N N 41 119.773 122.622 -2.849 1
1 543 . 15 1 1 A 45 45 ASN H H 42 8.176 8.074 0.102 1
1 544 . 15 1 1 A 45 45 ASN HA H 42 5.046 4.810 0.236 1
1 549 . 15 1 1 A 45 45 ASN C C 42 174.521 175.669 -1.148 1
1 550 . 15 1 1 A 45 45 ASN CA C 42 51.495 53.361 -1.866 1
1 551 . 15 1 1 A 45 45 ASN CB C 42 38.853 39.470 -0.617 1
1 552 . 15 1 1 A 45 45 ASN N N 42 114.425 115.105 -0.680 1
1 554 . 15 1 1 A 46 46 LYS H H 43 7.524 7.429 0.095 1
1 555 . 15 1 1 A 46 46 LYS HA H 43 3.769 4.045 -0.276 1
1 564 . 15 1 1 A 46 46 LYS C C 43 176.143 175.937 0.206 1
1 565 . 15 1 1 A 46 46 LYS CA C 43 56.858 56.358 0.500 1
1 566 . 15 1 1 A 46 46 LYS CB C 43 33.232 32.825 0.407 1
1 570 . 15 1 1 A 46 46 LYS N N 43 122.393 120.522 1.871 1
1 571 . 15 1 1 A 47 47 LEU H H 44 7.982 8.397 -0.415 1
1 572 . 15 1 1 A 47 47 LEU HA H 44 4.374 4.578 -0.204 1
1 582 . 15 1 1 A 47 47 LEU C C 44 176.143 176.775 -0.632 1
1 583 . 15 1 1 A 47 47 LEU CA C 44 53.746 54.072 -0.326 1
1 584 . 15 1 1 A 47 47 LEU CB C 44 41.951 42.680 -0.729 1
1 588 . 15 1 1 A 47 47 LEU N N 44 127.624 122.971 4.653 1
1 589 . 15 1 1 A 48 48 ARG H H 45 8.549 8.649 -0.100 1
1 590 . 15 1 1 A 48 48 ARG HA H 45 4.346 4.376 -0.030 1
1 597 . 15 1 1 A 48 48 ARG CA C 45 55.800 56.234 -0.434 1
1 598 . 15 1 1 A 48 48 ARG CB C 45 31.263 30.686 0.577 1
1 601 . 15 1 1 A 48 48 ARG N N 45 125.873 121.392 4.481 1
1 602 . 15 1 1 A 49 49 GLY H H 46 8.800 8.815 -0.015 1
1 603 . 15 1 1 A 49 49 GLY HA2 H 46 3.760 3.869 -0.109 1
1 604 . 15 1 1 A 49 49 GLY HA3 H 46 4.070 3.869 0.201 1
1 605 . 15 1 1 A 49 49 GLY C C 46 173.482 173.811 -0.329 1
1 606 . 15 1 1 A 49 49 GLY CA C 46 45.326 46.117 -0.791 1
1 607 . 15 1 1 A 49 49 GLY N N 46 111.980 112.360 -0.380 1
1 608 . 15 1 1 A 50 50 MET H H 47 7.272 7.869 -0.597 1
1 609 . 15 1 1 A 50 50 MET HA H 47 4.921 4.856 0.065 1
1 617 . 15 1 1 A 50 50 MET CA C 47 52.049 52.865 -0.816 1
1 618 . 15 1 1 A 50 50 MET CB C 47 33.794 35.443 -1.649 1
1 621 . 15 1 1 A 50 50 MET N N 47 119.077 120.083 -1.006 1
1 622 . 15 1 1 A 51 51 PRO HA H 48 4.294 4.361 -0.067 1
1 629 . 15 1 1 A 51 51 PRO C C 48 176.460 176.809 -0.349 1
1 630 . 15 1 1 A 51 51 PRO CA C 48 63.879 63.381 0.498 1
1 631 . 15 1 1 A 51 51 PRO CB C 48 31.825 31.261 0.564 1
1 634 . 15 1 1 A 52 52 ASP H H 49 8.661 8.425 0.236 1
1 635 . 15 1 1 A 52 52 ASP HA H 49 4.487 4.054 0.433 1
1 638 . 15 1 1 A 52 52 ASP C C 49 174.065 174.972 -0.907 1
1 639 . 15 1 1 A 52 52 ASP CA C 49 56.042 54.931 1.111 1
1 640 . 15 1 1 A 52 52 ASP CB C 49 41.107 39.791 1.316 1
1 641 . 15 1 1 A 52 52 ASP N N 49 116.477 116.845 -0.368 1
1 642 . 15 1 1 A 53 53 CYS H H 50 7.575 7.810 -0.235 1
1 643 . 15 1 1 A 53 53 CYS HA H 50 5.835 5.378 0.457 1
1 646 . 15 1 1 A 53 53 CYS C C 50 173.444 173.145 0.299 1
1 647 . 15 1 1 A 53 53 CYS CA C 50 58.110 57.924 0.186 1
1 648 . 15 1 1 A 53 53 CYS CB C 50 30.700 29.861 0.839 1
1 649 . 15 1 1 A 53 53 CYS N N 50 114.414 117.495 -3.081 1
1 650 . 15 1 1 A 54 54 TYR H H 51 8.806 9.285 -0.479 1
1 651 . 15 1 1 A 54 54 TYR HA H 51 4.737 5.413 -0.676 1
1 658 . 15 1 1 A 54 54 TYR C C 51 172.950 173.947 -0.997 1
1 659 . 15 1 1 A 54 54 TYR CA C 51 56.066 56.208 -0.142 1
1 660 . 15 1 1 A 54 54 TYR CB C 51 42.794 43.159 -0.365 1
1 661 . 15 1 1 A 54 54 TYR N N 51 120.858 120.900 -0.042 1
1 662 . 15 1 1 A 55 55 LYS H H 52 8.425 8.638 -0.213 1
1 663 . 15 1 1 A 55 55 LYS HA H 52 5.687 5.444 0.243 1
1 672 . 15 1 1 A 55 55 LYS C C 52 176.498 174.747 1.751 1
1 673 . 15 1 1 A 55 55 LYS CA C 52 53.291 54.333 -1.042 1
1 674 . 15 1 1 A 55 55 LYS CB C 52 36.325 36.135 0.190 1
1 678 . 15 1 1 A 55 55 LYS N N 52 115.794 117.980 -2.186 1
1 679 . 15 1 1 A 56 56 ILE H H 53 9.187 9.152 0.035 1
1 680 . 15 1 1 A 56 56 ILE HA H 53 4.416 5.043 -0.627 1
1 690 . 15 1 1 A 56 56 ILE C C 53 174.572 175.251 -0.679 1
1 691 . 15 1 1 A 56 56 ILE CA C 53 60.971 59.559 1.412 1
1 692 . 15 1 1 A 56 56 ILE CB C 53 41.388 40.697 0.691 1
1 696 . 15 1 1 A 56 56 ILE N N 53 120.315 123.619 -3.304 1
1 697 . 15 1 1 A 57 57 LYS H H 54 8.755 9.069 -0.314 1
1 698 . 15 1 1 A 57 57 LYS HA H 54 5.043 5.162 -0.119 1
1 707 . 15 1 1 A 57 57 LYS C C 54 175.193 174.818 0.375 1
1 708 . 15 1 1 A 57 57 LYS CA C 54 54.359 54.540 -0.181 1
1 709 . 15 1 1 A 57 57 LYS CB C 54 35.482 36.015 -0.533 1
1 713 . 15 1 1 A 57 57 LYS N N 54 125.616 124.204 1.412 1
1 714 . 15 1 1 A 58 58 LEU H H 55 8.449 9.477 -1.028 1
1 715 . 15 1 1 A 58 58 LEU HA H 55 4.796 4.515 0.281 1
1 725 . 15 1 1 A 58 58 LEU CA C 55 53.201 54.729 -1.528 1
1 726 . 15 1 1 A 58 58 LEU CB C 55 41.669 41.201 0.468 1
1 730 . 15 1 1 A 58 58 LEU N N 55 124.214 124.720 -0.506 1
1 731 . 15 1 1 A 59 59 ARG HA H 56 4.008 3.935 0.073 1
1 738 . 15 1 1 A 59 59 ARG CA C 56 57.420 59.551 -2.131 1
1 739 . 15 1 1 A 59 59 ARG CB C 56 29.575 29.770 -0.195 1
1 742 . 15 1 1 A 60 60 SER HA H 57 4.246 4.161 0.085 1
1 745 . 15 1 1 A 60 60 SER CA C 57 59.798 62.118 -2.320 1
1 746 . 15 1 1 A 60 60 SER CB C 57 63.045 63.018 0.027 1
1 747 . 15 1 1 A 61 61 SER HA H 58 4.616 4.594 0.022 1
1 750 . 15 1 1 A 61 61 SER C C 58 175.155 175.134 0.021 1
1 751 . 15 1 1 A 61 61 SER CA C 58 58.010 59.004 -0.994 1
1 752 . 15 1 1 A 61 61 SER CB C 58 64.452 64.012 0.440 1
1 753 . 15 1 1 A 62 62 GLY H H 59 8.217 8.414 -0.197 1
1 754 . 15 1 1 A 62 62 GLY HA2 H 59 3.926 3.884 0.042 1
1 755 . 15 1 1 A 62 62 GLY HA3 H 59 4.010 3.906 0.104 1
1 756 . 15 1 1 A 62 62 GLY C C 59 174.407 174.594 -0.187 1
1 757 . 15 1 1 A 62 62 GLY CA C 59 45.888 45.848 0.040 1
1 758 . 15 1 1 A 62 62 GLY N N 59 109.272 110.441 -1.169 1
1 759 . 15 1 1 A 63 63 TYR H H 60 7.463 7.996 -0.533 1
1 760 . 15 1 1 A 63 63 TYR HA H 60 4.629 4.634 -0.005 1
1 767 . 15 1 1 A 63 63 TYR C C 60 175.117 175.214 -0.097 1
1 768 . 15 1 1 A 63 63 TYR CA C 60 59.857 57.877 1.980 1
1 769 . 15 1 1 A 63 63 TYR CB C 60 41.388 40.352 1.036 1
1 770 . 15 1 1 A 63 63 TYR N N 60 117.638 119.550 -1.912 1
1 771 . 15 1 1 A 64 64 ARG H H 61 9.261 9.091 0.170 1
1 772 . 15 1 1 A 64 64 ARG HA H 61 5.458 5.431 0.027 1
1 779 . 15 1 1 A 64 64 ARG C C 61 173.596 174.800 -1.204 1
1 780 . 15 1 1 A 64 64 ARG CA C 61 53.880 54.458 -0.578 1
1 781 . 15 1 1 A 64 64 ARG CB C 61 34.357 33.774 0.583 1
1 784 . 15 1 1 A 64 64 ARG N N 61 119.605 121.223 -1.618 1
1 785 . 15 1 1 A 65 65 LEU H H 62 9.085 9.388 -0.303 1
1 786 . 15 1 1 A 65 65 LEU HA H 62 5.432 5.265 0.167 1
1 796 . 15 1 1 A 65 65 LEU C C 62 174.534 174.425 0.109 1
1 797 . 15 1 1 A 65 65 LEU CA C 62 53.795 53.844 -0.049 1
1 798 . 15 1 1 A 65 65 LEU CB C 62 46.732 46.452 0.280 1
1 802 . 15 1 1 A 65 65 LEU N N 62 125.189 124.485 0.704 1
1 803 . 15 1 1 A 66 66 VAL H H 63 9.058 9.155 -0.097 1
1 804 . 15 1 1 A 66 66 VAL HA H 63 4.991 5.170 -0.179 1
1 812 . 15 1 1 A 66 66 VAL C C 63 174.699 174.930 -0.231 1
1 813 . 15 1 1 A 66 66 VAL CA C 63 60.795 60.655 0.140 1
1 814 . 15 1 1 A 66 66 VAL CB C 63 34.075 33.709 0.366 1
1 817 . 15 1 1 A 66 66 VAL N N 63 125.140 125.362 -0.222 1
1 818 . 15 1 1 A 67 67 TYR H H 64 9.091 8.861 0.230 1
1 819 . 15 1 1 A 67 67 TYR HA H 64 5.659 5.539 0.120 1
1 826 . 15 1 1 A 67 67 TYR C C 64 170.910 172.983 -2.073 1
1 827 . 15 1 1 A 67 67 TYR CA C 64 54.286 55.195 -0.909 1
1 828 . 15 1 1 A 67 67 TYR CB C 64 41.951 42.181 -0.230 1
1 829 . 15 1 1 A 67 67 TYR N N 64 124.150 123.760 0.390 1
1 830 . 15 1 1 A 68 68 GLN H H 65 9.814 9.368 0.446 1
1 831 . 15 1 1 A 68 68 GLN HA H 65 5.510 5.617 -0.107 1
1 838 . 15 1 1 A 68 68 GLN C C 65 175.725 174.686 1.039 1
1 839 . 15 1 1 A 68 68 GLN CA C 65 53.092 54.445 -1.353 1
1 840 . 15 1 1 A 68 68 GLN CB C 65 32.600 31.659 0.941 1
1 842 . 15 1 1 A 68 68 GLN N N 65 123.050 119.081 3.969 1
1 844 . 15 1 1 A 69 69 VAL H H 66 9.198 9.437 -0.239 1
1 845 . 15 1 1 A 69 69 VAL HA H 66 4.369 4.498 -0.129 1
1 853 . 15 1 1 A 69 69 VAL C C 66 175.357 174.935 0.422 1
1 854 . 15 1 1 A 69 69 VAL CA C 66 63.045 61.984 1.061 1
1 855 . 15 1 1 A 69 69 VAL CB C 66 32.669 32.472 0.197 1
1 858 . 15 1 1 A 69 69 VAL N N 66 127.343 124.223 3.120 1
1 859 . 15 1 1 A 70 70 ILE H H 67 9.241 9.251 -0.010 1
1 860 . 15 1 1 A 70 70 ILE HA H 67 4.471 4.404 0.067 1
1 870 . 15 1 1 A 70 70 ILE C C 67 177.081 176.729 0.352 1
1 871 . 15 1 1 A 70 70 ILE CA C 67 59.716 60.977 -1.261 1
1 872 . 15 1 1 A 70 70 ILE CB C 67 37.169 36.959 0.210 1
1 876 . 15 1 1 A 70 70 ILE N N 67 129.254 127.617 1.637 1
1 877 . 15 1 1 A 71 71 ASP H H 68 9.374 8.953 0.421 1
1 878 . 15 1 1 A 71 71 ASP HA H 68 4.574 4.672 -0.098 1
1 881 . 15 1 1 A 71 71 ASP C C 68 179.868 178.479 1.389 1
1 882 . 15 1 1 A 71 71 ASP CA C 68 58.797 56.765 2.032 1
1 883 . 15 1 1 A 71 71 ASP CB C 68 40.544 39.776 0.768 1
1 884 . 15 1 1 A 71 71 ASP N N 68 129.133 128.350 0.783 1
1 885 . 15 1 1 A 72 72 GLU H H 69 9.631 8.207 1.424 1
1 886 . 15 1 1 A 72 72 GLU HA H 69 4.088 4.145 -0.057 1
1 891 . 15 1 1 A 72 72 GLU C C 69 176.865 177.855 -0.990 1
1 892 . 15 1 1 A 72 72 GLU CA C 69 59.670 59.166 0.504 1
1 893 . 15 1 1 A 72 72 GLU CB C 69 29.100 29.372 -0.272 1
1 895 . 15 1 1 A 72 72 GLU N N 69 118.880 120.187 -1.307 1
1 896 . 15 1 1 A 73 73 LYS H H 70 6.582 7.413 -0.831 1
1 897 . 15 1 1 A 73 73 LYS HA H 70 4.474 4.410 0.064 1
1 906 . 15 1 1 A 73 73 LYS C C 70 173.964 175.556 -1.592 1
1 907 . 15 1 1 A 73 73 LYS CA C 70 54.604 55.706 -1.102 1
1 908 . 15 1 1 A 73 73 LYS CB C 70 34.075 33.369 0.706 1
1 912 . 15 1 1 A 73 73 LYS N N 70 114.014 117.442 -3.428 1
1 913 . 15 1 1 A 74 74 VAL H H 71 7.791 7.752 0.039 1
1 914 . 15 1 1 A 74 74 VAL HA H 71 2.948 3.772 -0.824 1
1 922 . 15 1 1 A 74 74 VAL C C 71 173.381 174.243 -0.862 1
1 923 . 15 1 1 A 74 74 VAL CA C 71 63.045 63.740 -0.695 1
1 924 . 15 1 1 A 74 74 VAL CB C 71 29.013 29.749 -0.736 1
1 927 . 15 1 1 A 74 74 VAL N N 71 119.301 116.487 2.814 1
1 928 . 15 1 1 A 75 75 VAL H H 72 7.736 7.726 0.010 1
1 929 . 15 1 1 A 75 75 VAL HA H 72 5.159 5.023 0.136 1
1 937 . 15 1 1 A 75 75 VAL C C 72 175.028 173.955 1.073 1
1 938 . 15 1 1 A 75 75 VAL CA C 72 59.839 60.141 -0.302 1
1 939 . 15 1 1 A 75 75 VAL CB C 72 37.732 35.682 2.050 1
1 942 . 15 1 1 A 75 75 VAL N N 72 116.865 120.241 -3.376 1
1 943 . 15 1 1 A 76 76 VAL H H 73 9.006 9.278 -0.272 1
1 944 . 15 1 1 A 76 76 VAL HA H 73 4.190 4.634 -0.444 1
1 952 . 15 1 1 A 76 76 VAL C C 73 172.177 174.585 -2.408 1
1 953 . 15 1 1 A 76 76 VAL CA C 73 62.473 61.228 1.245 1
1 954 . 15 1 1 A 76 76 VAL CB C 73 32.388 32.222 0.166 1
1 957 . 15 1 1 A 76 76 VAL N N 73 128.675 128.202 0.473 1
1 958 . 15 1 1 A 77 77 PHE H H 74 9.468 9.389 0.079 1
1 959 . 15 1 1 A 77 77 PHE HA H 74 5.019 5.271 -0.252 1
1 966 . 15 1 1 A 77 77 PHE C C 74 174.420 173.970 0.450 1
1 967 . 15 1 1 A 77 77 PHE CA C 74 54.378 55.506 -1.128 1
1 968 . 15 1 1 A 77 77 PHE CB C 74 42.230 40.772 1.458 1
1 969 . 15 1 1 A 77 77 PHE N N 74 130.014 128.271 1.743 1
1 970 . 15 1 1 A 78 78 VAL H H 75 8.990 8.874 0.116 1
1 971 . 15 1 1 A 78 78 VAL HA H 75 3.645 4.038 -0.393 1
1 979 . 15 1 1 A 78 78 VAL C C 75 174.813 175.402 -0.589 1
1 980 . 15 1 1 A 78 78 VAL CA C 75 64.452 63.283 1.169 1
1 981 . 15 1 1 A 78 78 VAL CB C 75 31.009 31.220 -0.211 1
1 984 . 15 1 1 A 78 78 VAL N N 75 128.474 127.416 1.058 1
1 985 . 15 1 1 A 79 79 ILE H H 76 8.679 9.050 -0.371 1
1 986 . 15 1 1 A 79 79 ILE HA H 76 4.171 4.047 0.124 1
1 996 . 15 1 1 A 79 79 ILE C C 76 176.092 175.932 0.160 1
1 997 . 15 1 1 A 79 79 ILE CA C 76 61.635 62.282 -0.647 1
1 998 . 15 1 1 A 79 79 ILE CB C 76 39.982 38.555 1.427 1
1 1002 . 15 1 1 A 79 79 ILE N N 76 122.334 128.919 -6.585 1
1 1003 . 15 1 1 A 80 80 SER H H 77 7.614 7.853 -0.239 1
1 1004 . 15 1 1 A 80 80 SER HA H 77 4.724 5.145 -0.421 1
1 1007 . 15 1 1 A 80 80 SER C C 77 172.545 172.176 0.369 1
1 1008 . 15 1 1 A 80 80 SER CA C 77 57.849 57.671 0.178 1
1 1009 . 15 1 1 A 80 80 SER CB C 77 64.733 66.946 -2.213 1
1 1010 . 15 1 1 A 80 80 SER N N 77 113.369 114.950 -1.581 1
1 1011 . 15 1 1 A 81 81 VAL H H 78 8.814 8.764 0.050 1
1 1012 . 15 1 1 A 81 81 VAL HA H 78 5.102 5.042 0.060 1
1 1020 . 15 1 1 A 81 81 VAL C C 78 173.761 174.618 -0.857 1
1 1021 . 15 1 1 A 81 81 VAL CA C 78 61.004 59.775 1.229 1
1 1022 . 15 1 1 A 81 81 VAL CB C 78 34.638 35.860 -1.222 1
1 1025 . 15 1 1 A 81 81 VAL N N 78 123.792 121.823 1.969 1
1 1026 . 15 1 1 A 82 82 GLY H H 79 8.628 8.668 -0.040 1
1 1027 . 15 1 1 A 82 82 GLY HA2 H 79 4.365 4.302 0.063 1
1 1028 . 15 1 1 A 82 82 GLY HA3 H 79 4.214 4.451 -0.237 1
1 1029 . 15 1 1 A 82 82 GLY C C 79 171.201 171.923 -0.722 1
1 1030 . 15 1 1 A 82 82 GLY CA C 79 45.606 45.769 -0.163 1
1 1031 . 15 1 1 A 82 82 GLY N N 79 111.112 113.468 -2.356 1
1 1032 . 15 1 1 A 83 83 LYS H H 80 8.670 8.287 0.383 1
1 1033 . 15 1 1 A 83 83 LYS HA H 80 4.205 4.953 -0.748 1
1 1042 . 15 1 1 A 83 83 LYS C C 80 176.080 174.922 1.158 1
1 1043 . 15 1 1 A 83 83 LYS CA C 80 55.451 54.127 1.324 1
1 1044 . 15 1 1 A 83 83 LYS CB C 80 32.665 36.518 -3.853 1
1 1048 . 15 1 1 A 83 83 LYS N N 80 120.943 122.862 -1.919 1
1 1049 . 15 1 1 A 84 84 ALA H H 81 8.049 8.501 -0.452 1
1 1050 . 15 1 1 A 84 84 ALA HA H 81 4.182 4.651 -0.469 1
1 1054 . 15 1 1 A 84 84 ALA C C 81 176.941 177.719 -0.778 1
1 1055 . 15 1 1 A 84 84 ALA CA C 81 52.248 50.649 1.599 1
1 1056 . 15 1 1 A 84 84 ALA CB C 81 19.450 19.329 0.121 1
1 1057 . 15 1 1 A 84 84 ALA N N 81 125.262 124.040 1.222 1
1 1058 . 15 1 1 A 85 85 GLU H H 82 8.460 8.878 -0.418 1
1 1059 . 15 1 1 A 85 85 GLU HA H 82 4.230 4.120 0.110 1
1 1064 . 15 1 1 A 85 85 GLU C C 82 176.599 176.976 -0.377 1
1 1065 . 15 1 1 A 85 85 GLU CA C 82 56.446 58.900 -2.454 1
1 1066 . 15 1 1 A 85 85 GLU CB C 82 29.853 28.971 0.882 1
1 1068 . 15 1 1 A 85 85 GLU N N 82 119.296 123.709 -4.413 1
1 1069 . 15 1 1 A 86 86 ALA H H 83 8.403 8.203 0.200 1
1 1070 . 15 1 1 A 86 86 ALA HA H 83 4.149 4.648 -0.499 1
1 1074 . 15 1 1 A 86 86 ALA C C 83 177.777 178.189 -0.412 1
1 1075 . 15 1 1 A 86 86 ALA CA C 83 53.448 53.383 0.065 1
1 1076 . 15 1 1 A 86 86 ALA CB C 83 18.887 20.722 -1.835 1
1 1077 . 15 1 1 A 86 86 ALA N N 83 124.833 120.078 4.755 1
1 1078 . 15 1 1 A 87 87 SER H H 84 8.301 7.932 0.369 1
1 1079 . 15 1 1 A 87 87 SER HA H 84 4.297 5.026 -0.729 1
1 1082 . 15 1 1 A 87 87 SER C C 84 175.370 175.178 0.192 1
1 1083 . 15 1 1 A 87 87 SER N N 84 113.395 111.028 2.367 1
1 1084 . 15 1 1 A 88 88 GLU H H 85 8.271 8.259 0.012 1
1 1085 . 15 1 1 A 88 88 GLU HA H 85 4.239 3.989 0.250 1
1 1090 . 15 1 1 A 88 88 GLU C C 85 177.081 179.075 -1.994 1
1 1091 . 15 1 1 A 88 88 GLU CA C 85 57.140 59.138 -1.998 1
1 1092 . 15 1 1 A 88 88 GLU CB C 85 29.856 29.445 0.411 1
1 1094 . 15 1 1 A 88 88 GLU N N 85 122.554 123.245 -0.691 1
1 1095 . 15 1 1 A 89 89 VAL H H 86 7.833 7.890 -0.057 1
1 1096 . 15 1 1 A 89 89 VAL HA H 86 3.895 3.840 0.055 1
1 1104 . 15 1 1 A 89 89 VAL C C 86 177.172 176.859 0.313 1
1 1105 . 15 1 1 A 89 89 VAL CA C 86 63.045 65.194 -2.149 1
1 1106 . 15 1 1 A 89 89 VAL CB C 86 32.107 31.268 0.839 1
1 1109 . 15 1 1 A 89 89 VAL N N 86 119.916 119.016 0.900 1
1 1110 . 15 1 1 A 90 90 TYR H H 87 8.142 7.564 0.578 1
1 1111 . 15 1 1 A 90 90 TYR HA H 87 4.479 4.463 0.016 1
1 1118 . 15 1 1 A 90 90 TYR C C 87 176.637 178.228 -1.591 1
1 1119 . 15 1 1 A 90 90 TYR CA C 87 58.545 60.390 -1.845 1
1 1120 . 15 1 1 A 90 90 TYR CB C 87 37.732 39.163 -1.431 1
1 1121 . 15 1 1 A 90 90 TYR N N 87 122.303 121.470 0.833 1
1 1122 . 15 1 1 A 91 91 SER H H 88 8.090 8.497 -0.407 1
1 1123 . 15 1 1 A 91 91 SER HA H 88 4.335 4.157 0.178 1
1 1126 . 15 1 1 A 91 91 SER C C 88 176.130 176.930 -0.800 1
1 1127 . 15 1 1 A 91 91 SER CA C 88 59.899 62.202 -2.303 1
1 1128 . 15 1 1 A 91 91 SER CB C 88 62.483 62.713 -0.230 1
1 1129 . 15 1 1 A 91 91 SER N N 88 115.828 116.464 -0.636 1
1 1130 . 15 1 1 A 92 92 GLU H H 89 8.234 7.752 0.482 1
1 1131 . 15 1 1 A 92 92 GLU HA H 89 4.213 4.145 0.068 1
1 1136 . 15 1 1 A 92 92 GLU C C 89 177.600 178.841 -1.241 1
1 1137 . 15 1 1 A 92 92 GLU CA C 89 57.701 58.916 -1.215 1
1 1138 . 15 1 1 A 92 92 GLU CB C 89 29.575 28.939 0.636 1
1 1140 . 15 1 1 A 92 92 GLU N N 89 121.225 121.685 -0.460 1
1 1141 . 15 1 1 A 93 93 ALA H H 90 7.960 8.004 -0.044 1
1 1142 . 15 1 1 A 93 93 ALA HA H 90 4.025 4.179 -0.154 1
1 1146 . 15 1 1 A 93 93 ALA C C 90 178.550 179.272 -0.722 1
1 1147 . 15 1 1 A 93 93 ALA CA C 90 54.225 54.921 -0.696 1
1 1148 . 15 1 1 A 93 93 ALA CB C 90 18.325 18.571 -0.246 1
1 1149 . 15 1 1 A 93 93 ALA N N 90 122.055 123.023 -0.968 1
1 1150 . 15 1 1 A 94 94 VAL H H 91 7.799 8.684 -0.885 1
1 1151 . 15 1 1 A 94 94 VAL HA H 91 3.818 3.863 -0.045 1
1 1159 . 15 1 1 A 94 94 VAL CA C 91 64.167 65.241 -1.074 1
1 1160 . 15 1 1 A 94 94 VAL CB C 91 31.825 31.255 0.570 1
1 1163 . 15 1 1 A 94 94 VAL N N 91 115.727 117.222 -1.495 1
1 1164 . 15 1 1 A 95 95 LYS H H 92 7.764 7.907 -0.143 1
1 1165 . 15 1 1 A 95 95 LYS HA H 92 4.197 4.293 -0.096 1
1 1174 . 15 1 1 A 95 95 LYS C C 92 177.600 178.112 -0.512 1
1 1175 . 15 1 1 A 95 95 LYS CA C 92 57.139 58.812 -1.673 1
1 1176 . 15 1 1 A 95 95 LYS CB C 92 32.600 32.274 0.326 1
1 1180 . 15 1 1 A 95 95 LYS N N 92 120.823 121.931 -1.108 1
1 1181 . 15 1 1 A 96 96 ARG H H 93 7.970 8.032 -0.062 1
1 1182 . 15 1 1 A 96 96 ARG HA H 93 4.341 4.183 0.158 1
1 1189 . 15 1 1 A 96 96 ARG C C 93 179.703 178.131 1.572 1
1 1190 . 15 1 1 A 96 96 ARG CA C 93 56.295 58.588 -2.293 1
1 1191 . 15 1 1 A 96 96 ARG CB C 93 31.400 30.164 1.236 1
1 1194 . 15 1 1 A 96 96 ARG N N 93 119.070 120.322 -1.252 1
1 1195 . 15 1 1 A 97 97 ILE H H 94 8.012 7.621 0.391 1
1 1196 . 15 1 1 A 97 97 ILE HA H 94 4.216 4.069 0.147 1
1 1206 . 15 1 1 A 97 97 ILE C C 94 175.509 176.315 -0.806 1
1 1207 . 15 1 1 A 97 97 ILE CA C 94 61.362 62.929 -1.567 1
1 1208 . 15 1 1 A 97 97 ILE CB C 94 38.576 39.057 -0.481 1
1 1212 . 15 1 1 A 97 97 ILE N N 94 120.512 118.333 2.179 1
1 16 . 16 1 1 A 5 5 ALA H H 2 8.084 8.926 -0.842 1
1 17 . 16 1 1 A 5 5 ALA HA H 2 4.423 5.843 -1.420 1
1 21 . 16 1 1 A 5 5 ALA C C 2 176.536 176.283 0.253 1
1 22 . 16 1 1 A 5 5 ALA CA C 2 51.634 50.593 1.041 1
1 23 . 16 1 1 A 5 5 ALA CB C 2 19.439 21.617 -2.178 1
1 24 . 16 1 1 A 5 5 ALA N N 2 125.284 129.105 -3.821 1
1 25 . 16 1 1 A 6 6 TYR H H 3 8.406 8.906 -0.500 1
1 26 . 16 1 1 A 6 6 TYR HA H 3 4.312 4.837 -0.525 1
1 33 . 16 1 1 A 6 6 TYR C C 3 175.433 174.852 0.581 1
1 34 . 16 1 1 A 6 6 TYR CA C 3 57.701 56.069 1.632 1
1 35 . 16 1 1 A 6 6 TYR CB C 3 39.701 42.907 -3.206 1
1 36 . 16 1 1 A 6 6 TYR N N 3 120.887 118.398 2.489 1
1 37 . 16 1 1 A 7 7 PHE H H 4 8.703 9.438 -0.735 1
1 38 . 16 1 1 A 7 7 PHE HA H 4 4.645 4.835 -0.190 1
1 45 . 16 1 1 A 7 7 PHE C C 4 173.812 174.702 -0.890 1
1 46 . 16 1 1 A 7 7 PHE CA C 4 56.853 57.590 -0.737 1
1 47 . 16 1 1 A 7 7 PHE CB C 4 40.541 40.631 -0.090 1
1 48 . 16 1 1 A 7 7 PHE N N 4 119.295 119.713 -0.418 1
1 49 . 16 1 1 A 8 8 LEU H H 5 8.255 8.598 -0.343 1
1 50 . 16 1 1 A 8 8 LEU HA H 5 4.985 4.965 0.020 1
1 60 . 16 1 1 A 8 8 LEU C C 5 174.927 174.112 0.815 1
1 61 . 16 1 1 A 8 8 LEU CA C 5 53.544 53.283 0.261 1
1 62 . 16 1 1 A 8 8 LEU CB C 5 44.201 45.708 -1.507 1
1 66 . 16 1 1 A 8 8 LEU N N 5 124.516 122.757 1.759 1
1 67 . 16 1 1 A 9 9 ASP H H 6 9.047 8.750 0.297 1
1 68 . 16 1 1 A 9 9 ASP HA H 6 5.089 5.185 -0.096 1
1 71 . 16 1 1 A 9 9 ASP C C 6 173.216 173.583 -0.367 1
1 72 . 16 1 1 A 9 9 ASP CA C 6 52.278 52.299 -0.021 1
1 73 . 16 1 1 A 9 9 ASP CB C 6 45.326 44.507 0.819 1
1 74 . 16 1 1 A 9 9 ASP N N 6 126.171 124.603 1.568 1
1 75 . 16 1 1 A 10 10 PHE H H 7 8.891 8.468 0.423 1
1 76 . 16 1 1 A 10 10 PHE HA H 7 4.545 4.924 -0.379 1
1 83 . 16 1 1 A 10 10 PHE C C 7 175.218 174.486 0.732 1
1 84 . 16 1 1 A 10 10 PHE CA C 7 56.243 56.445 -0.202 1
1 85 . 16 1 1 A 10 10 PHE CB C 7 43.638 42.452 1.186 1
1 86 . 16 1 1 A 10 10 PHE N N 7 119.178 119.878 -0.700 1
1 87 . 16 1 1 A 11 11 ASP H H 8 8.124 8.725 -0.601 1
1 88 . 16 1 1 A 11 11 ASP HA H 8 4.551 4.878 -0.327 1
1 91 . 16 1 1 A 11 11 ASP C C 8 177.157 177.367 -0.210 1
1 92 . 16 1 1 A 11 11 ASP CA C 8 54.315 54.524 -0.209 1
1 93 . 16 1 1 A 11 11 ASP CB C 8 44.201 42.819 1.382 1
1 94 . 16 1 1 A 11 11 ASP N N 8 123.305 124.290 -0.985 1
1 95 . 16 1 1 A 12 12 GLU H H 9 9.197 9.019 0.178 1
1 96 . 16 1 1 A 12 12 GLU HA H 9 4.016 4.135 -0.119 1
1 101 . 16 1 1 A 12 12 GLU C C 9 178.880 178.721 0.159 1
1 102 . 16 1 1 A 12 12 GLU CA C 9 60.365 59.140 1.225 1
1 103 . 16 1 1 A 12 12 GLU CB C 9 29.670 29.085 0.585 1
1 105 . 16 1 1 A 12 12 GLU N N 9 127.082 123.094 3.988 1
1 106 . 16 1 1 A 13 13 ARG H H 10 8.949 8.472 0.477 1
1 107 . 16 1 1 A 13 13 ARG HA H 10 4.097 4.115 -0.018 1
1 114 . 16 1 1 A 13 13 ARG C C 10 179.273 179.496 -0.223 1
1 115 . 16 1 1 A 13 13 ARG CA C 10 58.924 58.972 -0.048 1
1 116 . 16 1 1 A 13 13 ARG CB C 10 30.138 30.571 -0.433 1
1 119 . 16 1 1 A 13 13 ARG N N 10 119.265 119.561 -0.296 1
1 120 . 16 1 1 A 14 14 ALA H H 11 7.451 8.286 -0.835 1
1 121 . 16 1 1 A 14 14 ALA HA H 11 4.685 4.235 0.450 1
1 125 . 16 1 1 A 14 14 ALA C C 11 179.564 180.412 -0.848 1
1 126 . 16 1 1 A 14 14 ALA CA C 11 53.705 54.865 -1.160 1
1 127 . 16 1 1 A 14 14 ALA CB C 11 18.325 18.483 -0.158 1
1 128 . 16 1 1 A 14 14 ALA N N 11 122.421 121.926 0.495 1
1 129 . 16 1 1 A 15 15 LEU H H 12 8.683 8.103 0.580 1
1 130 . 16 1 1 A 15 15 LEU HA H 12 3.877 4.002 -0.125 1
1 140 . 16 1 1 A 15 15 LEU C C 12 178.550 179.518 -0.968 1
1 141 . 16 1 1 A 15 15 LEU CA C 12 57.139 57.349 -0.210 1
1 142 . 16 1 1 A 15 15 LEU CB C 12 41.103 41.441 -0.338 1
1 146 . 16 1 1 A 15 15 LEU N N 12 120.118 119.803 0.315 1
1 147 . 16 1 1 A 16 16 LYS H H 13 7.345 7.952 -0.607 1
1 148 . 16 1 1 A 16 16 LYS HA H 13 3.995 3.983 0.012 1
1 157 . 16 1 1 A 16 16 LYS C C 13 179.678 179.863 -0.185 1
1 158 . 16 1 1 A 16 16 LYS CA C 13 59.700 60.446 -0.746 1
1 159 . 16 1 1 A 16 16 LYS CB C 13 32.388 32.058 0.330 1
1 163 . 16 1 1 A 16 16 LYS N N 13 117.725 118.500 -0.775 1
1 164 . 16 1 1 A 17 17 GLU H H 14 7.453 7.862 -0.409 1
1 165 . 16 1 1 A 17 17 GLU HA H 14 4.016 4.117 -0.101 1
1 170 . 16 1 1 A 17 17 GLU C C 14 179.589 179.032 0.557 1
1 171 . 16 1 1 A 17 17 GLU CA C 14 58.841 59.167 -0.326 1
1 172 . 16 1 1 A 17 17 GLU CB C 14 29.298 29.291 0.007 1
1 174 . 16 1 1 A 17 17 GLU N N 14 118.019 119.876 -1.857 1
1 175 . 16 1 1 A 18 18 TRP H H 15 9.081 8.683 0.398 1
1 176 . 16 1 1 A 18 18 TRP HA H 15 4.174 4.221 -0.047 1
1 183 . 16 1 1 A 18 18 TRP C C 15 178.360 178.269 0.091 1
1 184 . 16 1 1 A 18 18 TRP CA C 15 59.938 60.907 -0.969 1
1 185 . 16 1 1 A 18 18 TRP CB C 15 30.241 29.671 0.570 1
1 186 . 16 1 1 A 18 18 TRP N N 15 122.628 122.474 0.154 1
1 188 . 16 1 1 A 19 19 ARG H H 16 8.197 8.198 -0.001 1
1 189 . 16 1 1 A 19 19 ARG HA H 16 3.863 4.144 -0.281 1
1 196 . 16 1 1 A 19 19 ARG C C 16 177.030 179.223 -2.193 1
1 197 . 16 1 1 A 19 19 ARG CA C 16 58.516 58.789 -0.273 1
1 198 . 16 1 1 A 19 19 ARG CB C 16 30.300 29.783 0.517 1
1 201 . 16 1 1 A 19 19 ARG N N 16 115.582 118.645 -3.063 1
1 202 . 16 1 1 A 20 20 LYS H H 17 7.308 7.860 -0.552 1
1 203 . 16 1 1 A 20 20 LYS HA H 17 4.238 4.090 0.148 1
1 212 . 16 1 1 A 20 20 LYS C C 17 177.043 177.316 -0.273 1
1 213 . 16 1 1 A 20 20 LYS CA C 17 56.270 58.754 -2.484 1
1 214 . 16 1 1 A 20 20 LYS CB C 17 32.300 32.033 0.267 1
1 218 . 16 1 1 A 20 20 LYS N N 17 116.689 119.607 -2.918 1
1 219 . 16 1 1 A 21 21 LEU H H 18 6.998 7.345 -0.347 1
1 220 . 16 1 1 A 21 21 LEU HA H 18 4.026 4.114 -0.088 1
1 230 . 16 1 1 A 21 21 LEU C C 18 177.676 178.089 -0.413 1
1 231 . 16 1 1 A 21 21 LEU CA C 18 54.567 55.229 -0.662 1
1 232 . 16 1 1 A 21 21 LEU CB C 18 43.357 41.611 1.746 1
1 236 . 16 1 1 A 21 21 LEU N N 18 118.778 120.203 -1.425 1
1 237 . 16 1 1 A 22 22 GLY H H 19 8.370 8.514 -0.144 1
1 238 . 16 1 1 A 22 22 GLY HA2 H 19 4.064 3.720 0.344 1
1 239 . 16 1 1 A 22 22 GLY HA3 H 19 3.845 3.744 0.101 1
1 240 . 16 1 1 A 22 22 GLY C C 19 174.813 175.051 -0.238 1
1 241 . 16 1 1 A 22 22 GLY CA C 19 45.045 47.345 -2.300 1
1 242 . 16 1 1 A 22 22 GLY N N 19 107.490 111.641 -4.151 1
1 243 . 16 1 1 A 23 23 SER H H 20 8.675 7.707 0.968 1
1 244 . 16 1 1 A 23 23 SER HA H 20 4.288 4.616 -0.328 1
1 247 . 16 1 1 A 23 23 SER CA C 20 58.981 59.224 -0.243 1
1 248 . 16 1 1 A 23 23 SER CB C 20 63.045 64.540 -1.495 1
1 249 . 16 1 1 A 23 23 SER N N 20 117.877 115.928 1.949 1
1 250 . 16 1 1 A 24 24 THR H H 21 8.216 8.388 -0.172 1
1 251 . 16 1 1 A 24 24 THR HA H 21 3.983 3.910 0.073 1
1 256 . 16 1 1 A 24 24 THR C C 21 176.510 176.466 0.044 1
1 257 . 16 1 1 A 24 24 THR CA C 21 65.858 66.580 -0.722 1
1 258 . 16 1 1 A 24 24 THR CB C 21 67.941 68.064 -0.123 1
1 260 . 16 1 1 A 24 24 THR N N 21 115.680 116.761 -1.081 1
1 261 . 16 1 1 A 25 25 VAL H H 22 7.143 8.011 -0.868 1
1 262 . 16 1 1 A 25 25 VAL HA H 22 3.545 3.410 0.135 1
1 270 . 16 1 1 A 25 25 VAL C C 22 177.613 177.673 -0.060 1
1 271 . 16 1 1 A 25 25 VAL CA C 22 65.577 66.776 -1.199 1
1 272 . 16 1 1 A 25 25 VAL CB C 22 31.544 30.833 0.711 1
1 275 . 16 1 1 A 25 25 VAL N N 22 122.443 121.466 0.977 1
1 276 . 16 1 1 A 26 26 ARG H H 23 7.840 7.921 -0.081 1
1 277 . 16 1 1 A 26 26 ARG HA H 23 3.156 3.552 -0.396 1
1 284 . 16 1 1 A 26 26 ARG C C 23 177.790 178.169 -0.379 1
1 285 . 16 1 1 A 26 26 ARG CA C 23 59.951 58.368 1.583 1
1 286 . 16 1 1 A 26 26 ARG CB C 23 29.590 28.893 0.697 1
1 289 . 16 1 1 A 26 26 ARG N N 23 119.146 119.435 -0.289 1
1 290 . 16 1 1 A 27 27 GLU H H 24 8.159 8.433 -0.274 1
1 291 . 16 1 1 A 27 27 GLU HA H 24 3.970 4.134 -0.164 1
1 296 . 16 1 1 A 27 27 GLU C C 24 179.577 179.202 0.375 1
1 297 . 16 1 1 A 27 27 GLU CA C 24 59.400 59.057 0.343 1
1 298 . 16 1 1 A 27 27 GLU CB C 24 29.013 29.375 -0.362 1
1 300 . 16 1 1 A 27 27 GLU N N 24 116.672 118.666 -1.994 1
1 301 . 16 1 1 A 28 28 GLN H H 25 7.693 8.009 -0.316 1
1 302 . 16 1 1 A 28 28 GLN HA H 25 4.094 4.033 0.061 1
1 309 . 16 1 1 A 28 28 GLN C C 25 179.919 178.890 1.029 1
1 310 . 16 1 1 A 28 28 GLN CA C 25 59.108 58.891 0.217 1
1 311 . 16 1 1 A 28 28 GLN CB C 25 29.575 28.166 1.409 1
1 313 . 16 1 1 A 28 28 GLN N N 25 118.482 118.912 -0.430 1
1 315 . 16 1 1 A 29 29 LEU H H 26 8.441 8.267 0.174 1
1 316 . 16 1 1 A 29 29 LEU HA H 26 4.096 4.053 0.043 1
1 326 . 16 1 1 A 29 29 LEU C C 26 178.804 179.186 -0.382 1
1 327 . 16 1 1 A 29 29 LEU CA C 26 57.983 58.072 -0.089 1
1 328 . 16 1 1 A 29 29 LEU CB C 26 42.513 41.609 0.904 1
1 332 . 16 1 1 A 29 29 LEU N N 26 119.907 120.141 -0.234 1
1 333 . 16 1 1 A 30 30 LYS H H 27 9.233 8.834 0.399 1
1 334 . 16 1 1 A 30 30 LYS HA H 27 4.076 4.240 -0.164 1
1 343 . 16 1 1 A 30 30 LYS C C 27 178.056 178.770 -0.714 1
1 344 . 16 1 1 A 30 30 LYS CA C 27 60.233 59.793 0.440 1
1 345 . 16 1 1 A 30 30 LYS CB C 27 32.103 32.693 -0.590 1
1 349 . 16 1 1 A 30 30 LYS N N 27 120.508 120.507 0.001 1
1 350 . 16 1 1 A 31 31 LYS H H 28 7.698 7.724 -0.026 1
1 351 . 16 1 1 A 31 31 LYS HA H 28 4.056 4.109 -0.053 1
1 360 . 16 1 1 A 31 31 LYS C C 28 179.539 179.346 0.193 1
1 361 . 16 1 1 A 31 31 LYS CA C 28 59.596 59.739 -0.143 1
1 362 . 16 1 1 A 31 31 LYS CB C 28 32.400 32.274 0.126 1
1 366 . 16 1 1 A 31 31 LYS N N 28 117.412 118.305 -0.893 1
1 367 . 16 1 1 A 32 32 LYS H H 29 7.347 7.971 -0.624 1
1 368 . 16 1 1 A 32 32 LYS HA H 29 4.230 4.007 0.223 1
1 377 . 16 1 1 A 32 32 LYS C C 29 179.057 179.433 -0.376 1
1 378 . 16 1 1 A 32 32 LYS CA C 29 57.553 59.601 -2.048 1
1 379 . 16 1 1 A 32 32 LYS CB C 29 32.103 32.572 -0.469 1
1 383 . 16 1 1 A 32 32 LYS N N 29 116.983 120.051 -3.068 1
1 384 . 16 1 1 A 33 33 LEU H H 30 8.663 8.097 0.566 1
1 385 . 16 1 1 A 33 33 LEU HA H 30 3.844 3.977 -0.133 1
1 395 . 16 1 1 A 33 33 LEU C C 30 177.765 178.900 -1.135 1
1 396 . 16 1 1 A 33 33 LEU CA C 30 57.420 57.861 -0.441 1
1 397 . 16 1 1 A 33 33 LEU CB C 30 42.513 41.637 0.876 1
1 401 . 16 1 1 A 33 33 LEU N N 30 121.134 119.925 1.209 1
1 402 . 16 1 1 A 34 34 VAL H H 31 8.185 8.298 -0.113 1
1 403 . 16 1 1 A 34 34 VAL HA H 31 3.548 3.532 0.016 1
1 411 . 16 1 1 A 34 34 VAL C C 31 178.639 177.994 0.645 1
1 412 . 16 1 1 A 34 34 VAL CA C 31 66.702 66.879 -0.177 1
1 413 . 16 1 1 A 34 34 VAL CB C 31 31.544 30.883 0.661 1
1 416 . 16 1 1 A 34 34 VAL N N 31 117.076 119.180 -2.104 1
1 417 . 16 1 1 A 35 35 GLU H H 32 7.143 8.303 -1.160 1
1 418 . 16 1 1 A 35 35 GLU HA H 32 4.093 4.055 0.038 1
1 423 . 16 1 1 A 35 35 GLU C C 32 179.450 178.746 0.704 1
1 424 . 16 1 1 A 35 35 GLU CA C 32 58.264 59.171 -0.907 1
1 425 . 16 1 1 A 35 35 GLU CB C 32 29.575 29.124 0.451 1
1 427 . 16 1 1 A 35 35 GLU N N 32 117.290 119.494 -2.204 1
1 428 . 16 1 1 A 36 36 VAL H H 33 7.659 8.044 -0.385 1
1 429 . 16 1 1 A 36 36 VAL HA H 33 3.774 3.823 -0.049 1
1 437 . 16 1 1 A 36 36 VAL C C 33 176.929 177.799 -0.870 1
1 438 . 16 1 1 A 36 36 VAL CA C 33 63.889 65.171 -1.282 1
1 439 . 16 1 1 A 36 36 VAL CB C 33 31.825 31.252 0.573 1
1 442 . 16 1 1 A 36 36 VAL N N 33 118.056 119.948 -1.892 1
1 443 . 16 1 1 A 37 37 LEU H H 34 7.679 8.094 -0.415 1
1 444 . 16 1 1 A 37 37 LEU HA H 34 3.619 3.895 -0.276 1
1 454 . 16 1 1 A 37 37 LEU C C 34 177.968 179.623 -1.655 1
1 455 . 16 1 1 A 37 37 LEU CA C 34 57.420 57.165 0.255 1
1 456 . 16 1 1 A 37 37 LEU CB C 34 40.263 41.378 -1.115 1
1 460 . 16 1 1 A 37 37 LEU N N 34 116.847 121.336 -4.489 1
1 461 . 16 1 1 A 38 38 GLU H H 35 7.238 8.608 -1.370 1
1 462 . 16 1 1 A 38 38 GLU HA H 35 4.295 4.189 0.106 1
1 467 . 16 1 1 A 38 38 GLU C C 35 177.853 176.632 1.221 1
1 468 . 16 1 1 A 38 38 GLU CA C 35 57.900 58.223 -0.323 1
1 469 . 16 1 1 A 38 38 GLU CB C 35 30.138 28.469 1.669 1
1 471 . 16 1 1 A 38 38 GLU N N 35 113.881 117.218 -3.337 1
1 472 . 16 1 1 A 39 39 SER H H 36 7.101 7.947 -0.846 1
1 473 . 16 1 1 A 39 39 SER HA H 36 4.518 4.810 -0.292 1
1 476 . 16 1 1 A 39 39 SER CA C 36 55.553 55.563 -0.010 1
1 477 . 16 1 1 A 39 39 SER CB C 36 61.920 62.734 -0.814 1
1 478 . 16 1 1 A 39 39 SER N N 36 109.128 113.667 -4.539 1
1 479 . 16 1 1 A 40 40 PRO HA H 37 4.363 4.378 -0.015 1
1 486 . 16 1 1 A 40 40 PRO C C 37 177.879 176.964 0.915 1
1 487 . 16 1 1 A 40 40 PRO CA C 37 64.705 63.572 1.133 1
1 488 . 16 1 1 A 40 40 PRO CB C 37 32.669 31.508 1.161 1
1 491 . 16 1 1 A 41 41 ARG H H 38 8.299 8.283 0.016 1
1 492 . 16 1 1 A 41 41 ARG HA H 38 3.183 3.996 -0.813 1
1 499 . 16 1 1 A 41 41 ARG C C 38 174.217 175.578 -1.361 1
1 500 . 16 1 1 A 41 41 ARG CA C 38 56.014 55.715 0.299 1
1 501 . 16 1 1 A 41 41 ARG CB C 38 29.571 29.826 -0.255 1
1 504 . 16 1 1 A 41 41 ARG N N 38 121.121 115.200 5.921 1
1 505 . 16 1 1 A 42 42 ILE H H 39 5.995 7.175 -1.180 1
1 506 . 16 1 1 A 42 42 ILE HA H 39 4.177 4.396 -0.219 1
1 516 . 16 1 1 A 42 42 ILE C C 39 176.295 177.330 -1.035 1
1 517 . 16 1 1 A 42 42 ILE CA C 39 59.389 61.406 -2.017 1
1 518 . 16 1 1 A 42 42 ILE CB C 39 39.138 36.708 2.430 1
1 522 . 16 1 1 A 42 42 ILE N N 39 128.247 122.178 6.069 1
1 523 . 16 1 1 A 43 43 GLU H H 40 8.893 8.608 0.285 1
1 524 . 16 1 1 A 43 43 GLU HA H 40 4.174 4.181 -0.007 1
1 529 . 16 1 1 A 43 43 GLU C C 40 178.918 178.435 0.483 1
1 530 . 16 1 1 A 43 43 GLU CA C 40 60.336 58.889 1.447 1
1 531 . 16 1 1 A 43 43 GLU CB C 40 29.100 29.170 -0.070 1
1 533 . 16 1 1 A 43 43 GLU N N 40 130.055 126.800 3.255 1
1 534 . 16 1 1 A 44 44 ALA H H 41 8.851 7.920 0.931 1
1 535 . 16 1 1 A 44 44 ALA HA H 41 4.222 4.149 0.073 1
1 539 . 16 1 1 A 44 44 ALA C C 41 178.069 178.791 -0.722 1
1 540 . 16 1 1 A 44 44 ALA CA C 41 54.148 54.600 -0.452 1
1 541 . 16 1 1 A 44 44 ALA CB C 41 18.606 18.210 0.396 1
1 542 . 16 1 1 A 44 44 ALA N N 41 119.773 123.300 -3.527 1
1 543 . 16 1 1 A 45 45 ASN H H 42 8.176 8.264 -0.088 1
1 544 . 16 1 1 A 45 45 ASN HA H 42 5.046 4.821 0.225 1
1 549 . 16 1 1 A 45 45 ASN C C 42 174.521 175.031 -0.510 1
1 550 . 16 1 1 A 45 45 ASN CA C 42 51.495 53.320 -1.825 1
1 551 . 16 1 1 A 45 45 ASN CB C 42 38.853 39.257 -0.404 1
1 552 . 16 1 1 A 45 45 ASN N N 42 114.425 113.668 0.757 1
1 554 . 16 1 1 A 46 46 LYS H H 43 7.524 7.410 0.114 1
1 555 . 16 1 1 A 46 46 LYS HA H 43 3.769 4.041 -0.272 1
1 564 . 16 1 1 A 46 46 LYS C C 43 176.143 176.297 -0.154 1
1 565 . 16 1 1 A 46 46 LYS CA C 43 56.858 55.701 1.157 1
1 566 . 16 1 1 A 46 46 LYS CB C 43 33.232 32.777 0.455 1
1 570 . 16 1 1 A 46 46 LYS N N 43 122.393 122.013 0.380 1
1 571 . 16 1 1 A 47 47 LEU H H 44 7.982 8.788 -0.806 1
1 572 . 16 1 1 A 47 47 LEU HA H 44 4.374 4.419 -0.045 1
1 582 . 16 1 1 A 47 47 LEU C C 44 176.143 177.715 -1.572 1
1 583 . 16 1 1 A 47 47 LEU CA C 44 53.746 54.558 -0.812 1
1 584 . 16 1 1 A 47 47 LEU CB C 44 41.951 42.122 -0.171 1
1 588 . 16 1 1 A 47 47 LEU N N 44 127.624 125.910 1.714 1
1 589 . 16 1 1 A 48 48 ARG H H 45 8.549 8.799 -0.250 1
1 590 . 16 1 1 A 48 48 ARG HA H 45 4.346 3.956 0.390 1
1 597 . 16 1 1 A 48 48 ARG CA C 45 55.800 59.647 -3.847 1
1 598 . 16 1 1 A 48 48 ARG CB C 45 31.263 30.549 0.714 1
1 601 . 16 1 1 A 48 48 ARG N N 45 125.873 123.861 2.012 1
1 602 . 16 1 1 A 49 49 GLY H H 46 8.800 7.998 0.802 1
1 603 . 16 1 1 A 49 49 GLY HA2 H 46 3.760 3.901 -0.141 1
1 604 . 16 1 1 A 49 49 GLY HA3 H 46 4.070 3.906 0.164 1
1 605 . 16 1 1 A 49 49 GLY C C 46 173.482 173.189 0.293 1
1 606 . 16 1 1 A 49 49 GLY CA C 46 45.326 46.021 -0.695 1
1 607 . 16 1 1 A 49 49 GLY N N 46 111.980 106.586 5.394 1
1 608 . 16 1 1 A 50 50 MET H H 47 7.272 7.565 -0.293 1
1 609 . 16 1 1 A 50 50 MET HA H 47 4.921 4.834 0.087 1
1 617 . 16 1 1 A 50 50 MET CA C 47 52.049 53.107 -1.058 1
1 618 . 16 1 1 A 50 50 MET CB C 47 33.794 35.128 -1.334 1
1 621 . 16 1 1 A 50 50 MET N N 47 119.077 118.604 0.473 1
1 622 . 16 1 1 A 51 51 PRO HA H 48 4.294 4.368 -0.074 1
1 629 . 16 1 1 A 51 51 PRO C C 48 176.460 176.868 -0.408 1
1 630 . 16 1 1 A 51 51 PRO CA C 48 63.879 63.467 0.412 1
1 631 . 16 1 1 A 51 51 PRO CB C 48 31.825 31.291 0.534 1
1 634 . 16 1 1 A 52 52 ASP H H 49 8.661 8.763 -0.102 1
1 635 . 16 1 1 A 52 52 ASP HA H 49 4.487 4.052 0.435 1
1 638 . 16 1 1 A 52 52 ASP C C 49 174.065 174.963 -0.898 1
1 639 . 16 1 1 A 52 52 ASP CA C 49 56.042 54.976 1.066 1
1 640 . 16 1 1 A 52 52 ASP CB C 49 41.107 39.879 1.228 1
1 641 . 16 1 1 A 52 52 ASP N N 49 116.477 116.826 -0.349 1
1 642 . 16 1 1 A 53 53 CYS H H 50 7.575 7.373 0.202 1
1 643 . 16 1 1 A 53 53 CYS HA H 50 5.835 5.127 0.708 1
1 646 . 16 1 1 A 53 53 CYS C C 50 173.444 173.238 0.206 1
1 647 . 16 1 1 A 53 53 CYS CA C 50 58.110 57.921 0.189 1
1 648 . 16 1 1 A 53 53 CYS CB C 50 30.700 29.661 1.039 1
1 649 . 16 1 1 A 53 53 CYS N N 50 114.414 117.517 -3.103 1
1 650 . 16 1 1 A 54 54 TYR H H 51 8.806 9.360 -0.554 1
1 651 . 16 1 1 A 54 54 TYR HA H 51 4.737 5.149 -0.412 1
1 658 . 16 1 1 A 54 54 TYR C C 51 172.950 174.119 -1.169 1
1 659 . 16 1 1 A 54 54 TYR CA C 51 56.066 56.261 -0.195 1
1 660 . 16 1 1 A 54 54 TYR CB C 51 42.794 43.291 -0.497 1
1 661 . 16 1 1 A 54 54 TYR N N 51 120.858 120.750 0.108 1
1 662 . 16 1 1 A 55 55 LYS H H 52 8.425 8.821 -0.396 1
1 663 . 16 1 1 A 55 55 LYS HA H 52 5.687 5.279 0.408 1
1 672 . 16 1 1 A 55 55 LYS C C 52 176.498 174.869 1.629 1
1 673 . 16 1 1 A 55 55 LYS CA C 52 53.291 54.380 -1.089 1
1 674 . 16 1 1 A 55 55 LYS CB C 52 36.325 36.420 -0.095 1
1 678 . 16 1 1 A 55 55 LYS N N 52 115.794 117.982 -2.188 1
1 679 . 16 1 1 A 56 56 ILE H H 53 9.187 9.177 0.010 1
1 680 . 16 1 1 A 56 56 ILE HA H 53 4.416 5.091 -0.675 1
1 690 . 16 1 1 A 56 56 ILE C C 53 174.572 175.157 -0.585 1
1 691 . 16 1 1 A 56 56 ILE CA C 53 60.971 60.139 0.832 1
1 692 . 16 1 1 A 56 56 ILE CB C 53 41.388 41.436 -0.048 1
1 696 . 16 1 1 A 56 56 ILE N N 53 120.315 122.764 -2.449 1
1 697 . 16 1 1 A 57 57 LYS H H 54 8.755 8.926 -0.171 1
1 698 . 16 1 1 A 57 57 LYS HA H 54 5.043 5.069 -0.026 1
1 707 . 16 1 1 A 57 57 LYS C C 54 175.193 175.377 -0.184 1
1 708 . 16 1 1 A 57 57 LYS CA C 54 54.359 55.081 -0.722 1
1 709 . 16 1 1 A 57 57 LYS CB C 54 35.482 34.796 0.686 1
1 713 . 16 1 1 A 57 57 LYS N N 54 125.616 125.378 0.238 1
1 714 . 16 1 1 A 58 58 LEU H H 55 8.449 9.051 -0.602 1
1 715 . 16 1 1 A 58 58 LEU HA H 55 4.796 4.424 0.372 1
1 725 . 16 1 1 A 58 58 LEU CA C 55 53.201 55.486 -2.285 1
1 726 . 16 1 1 A 58 58 LEU CB C 55 41.669 43.094 -1.425 1
1 730 . 16 1 1 A 58 58 LEU N N 55 124.214 125.766 -1.552 1
1 731 . 16 1 1 A 59 59 ARG HA H 56 4.008 4.123 -0.115 1
1 738 . 16 1 1 A 59 59 ARG CA C 56 57.420 59.354 -1.934 1
1 739 . 16 1 1 A 59 59 ARG CB C 56 29.575 30.274 -0.699 1
1 742 . 16 1 1 A 60 60 SER HA H 57 4.246 4.486 -0.240 1
1 745 . 16 1 1 A 60 60 SER CA C 57 59.798 59.632 0.166 1
1 746 . 16 1 1 A 60 60 SER CB C 57 63.045 62.805 0.240 1
1 747 . 16 1 1 A 61 61 SER HA H 58 4.616 4.369 0.247 1
1 750 . 16 1 1 A 61 61 SER C C 58 175.155 174.000 1.155 1
1 751 . 16 1 1 A 61 61 SER CA C 58 58.010 60.766 -2.756 1
1 752 . 16 1 1 A 61 61 SER CB C 58 64.452 62.114 2.338 1
1 753 . 16 1 1 A 62 62 GLY H H 59 8.217 8.527 -0.310 1
1 754 . 16 1 1 A 62 62 GLY HA2 H 59 3.926 3.950 -0.024 1
1 755 . 16 1 1 A 62 62 GLY HA3 H 59 4.010 4.014 -0.004 1
1 756 . 16 1 1 A 62 62 GLY C C 59 174.407 173.777 0.630 1
1 757 . 16 1 1 A 62 62 GLY CA C 59 45.888 45.729 0.159 1
1 758 . 16 1 1 A 62 62 GLY N N 59 109.272 110.466 -1.194 1
1 759 . 16 1 1 A 63 63 TYR H H 60 7.463 7.814 -0.351 1
1 760 . 16 1 1 A 63 63 TYR HA H 60 4.629 5.047 -0.418 1
1 767 . 16 1 1 A 63 63 TYR C C 60 175.117 175.848 -0.731 1
1 768 . 16 1 1 A 63 63 TYR CA C 60 59.857 57.851 2.006 1
1 769 . 16 1 1 A 63 63 TYR CB C 60 41.388 40.359 1.029 1
1 770 . 16 1 1 A 63 63 TYR N N 60 117.638 119.172 -1.534 1
1 771 . 16 1 1 A 64 64 ARG H H 61 9.261 9.246 0.015 1
1 772 . 16 1 1 A 64 64 ARG HA H 61 5.458 5.420 0.038 1
1 779 . 16 1 1 A 64 64 ARG C C 61 173.596 174.537 -0.941 1
1 780 . 16 1 1 A 64 64 ARG CA C 61 53.880 54.451 -0.571 1
1 781 . 16 1 1 A 64 64 ARG CB C 61 34.357 34.547 -0.190 1
1 784 . 16 1 1 A 64 64 ARG N N 61 119.605 121.703 -2.098 1
1 785 . 16 1 1 A 65 65 LEU H H 62 9.085 9.377 -0.292 1
1 786 . 16 1 1 A 65 65 LEU HA H 62 5.432 5.436 -0.004 1
1 796 . 16 1 1 A 65 65 LEU C C 62 174.534 174.356 0.178 1
1 797 . 16 1 1 A 65 65 LEU CA C 62 53.795 53.451 0.344 1
1 798 . 16 1 1 A 65 65 LEU CB C 62 46.732 46.034 0.698 1
1 802 . 16 1 1 A 65 65 LEU N N 62 125.189 125.099 0.090 1
1 803 . 16 1 1 A 66 66 VAL H H 63 9.058 9.002 0.056 1
1 804 . 16 1 1 A 66 66 VAL HA H 63 4.991 5.045 -0.054 1
1 812 . 16 1 1 A 66 66 VAL C C 63 174.699 174.861 -0.162 1
1 813 . 16 1 1 A 66 66 VAL CA C 63 60.795 60.638 0.157 1
1 814 . 16 1 1 A 66 66 VAL CB C 63 34.075 34.129 -0.054 1
1 817 . 16 1 1 A 66 66 VAL N N 63 125.140 125.228 -0.088 1
1 818 . 16 1 1 A 67 67 TYR H H 64 9.091 8.845 0.246 1
1 819 . 16 1 1 A 67 67 TYR HA H 64 5.659 5.667 -0.008 1
1 826 . 16 1 1 A 67 67 TYR C C 64 170.910 172.766 -1.856 1
1 827 . 16 1 1 A 67 67 TYR CA C 64 54.286 55.279 -0.993 1
1 828 . 16 1 1 A 67 67 TYR CB C 64 41.951 42.303 -0.352 1
1 829 . 16 1 1 A 67 67 TYR N N 64 124.150 123.682 0.468 1
1 830 . 16 1 1 A 68 68 GLN H H 65 9.814 9.252 0.562 1
1 831 . 16 1 1 A 68 68 GLN HA H 65 5.510 5.431 0.079 1
1 838 . 16 1 1 A 68 68 GLN C C 65 175.725 174.988 0.737 1
1 839 . 16 1 1 A 68 68 GLN CA C 65 53.092 54.132 -1.040 1
1 840 . 16 1 1 A 68 68 GLN CB C 65 32.600 32.106 0.494 1
1 842 . 16 1 1 A 68 68 GLN N N 65 123.050 118.989 4.061 1
1 844 . 16 1 1 A 69 69 VAL H H 66 9.198 9.108 0.090 1
1 845 . 16 1 1 A 69 69 VAL HA H 66 4.369 4.801 -0.432 1
1 853 . 16 1 1 A 69 69 VAL C C 66 175.357 174.875 0.482 1
1 854 . 16 1 1 A 69 69 VAL CA C 66 63.045 61.250 1.795 1
1 855 . 16 1 1 A 69 69 VAL CB C 66 32.669 33.288 -0.619 1
1 858 . 16 1 1 A 69 69 VAL N N 66 127.343 117.589 9.754 1
1 859 . 16 1 1 A 70 70 ILE H H 67 9.241 9.548 -0.307 1
1 860 . 16 1 1 A 70 70 ILE HA H 67 4.471 4.494 -0.023 1
1 870 . 16 1 1 A 70 70 ILE C C 67 177.081 176.206 0.875 1
1 871 . 16 1 1 A 70 70 ILE CA C 67 59.716 60.908 -1.192 1
1 872 . 16 1 1 A 70 70 ILE CB C 67 37.169 37.093 0.076 1
1 876 . 16 1 1 A 70 70 ILE N N 67 129.254 128.028 1.226 1
1 877 . 16 1 1 A 71 71 ASP H H 68 9.374 8.844 0.530 1
1 878 . 16 1 1 A 71 71 ASP HA H 68 4.574 4.514 0.060 1
1 881 . 16 1 1 A 71 71 ASP C C 68 179.868 177.975 1.893 1
1 882 . 16 1 1 A 71 71 ASP CA C 68 58.797 57.505 1.292 1
1 883 . 16 1 1 A 71 71 ASP CB C 68 40.544 40.734 -0.190 1
1 884 . 16 1 1 A 71 71 ASP N N 68 129.133 129.025 0.108 1
1 885 . 16 1 1 A 72 72 GLU H H 69 9.631 8.330 1.301 1
1 886 . 16 1 1 A 72 72 GLU HA H 69 4.088 4.109 -0.021 1
1 891 . 16 1 1 A 72 72 GLU C C 69 176.865 177.878 -1.013 1
1 892 . 16 1 1 A 72 72 GLU CA C 69 59.670 59.311 0.359 1
1 893 . 16 1 1 A 72 72 GLU CB C 69 29.100 29.767 -0.667 1
1 895 . 16 1 1 A 72 72 GLU N N 69 118.880 118.654 0.226 1
1 896 . 16 1 1 A 73 73 LYS H H 70 6.582 7.501 -0.919 1
1 897 . 16 1 1 A 73 73 LYS HA H 70 4.474 4.462 0.012 1
1 906 . 16 1 1 A 73 73 LYS C C 70 173.964 175.652 -1.688 1
1 907 . 16 1 1 A 73 73 LYS CA C 70 54.604 55.743 -1.139 1
1 908 . 16 1 1 A 73 73 LYS CB C 70 34.075 33.443 0.632 1
1 912 . 16 1 1 A 73 73 LYS N N 70 114.014 117.044 -3.030 1
1 913 . 16 1 1 A 74 74 VAL H H 71 7.791 7.838 -0.047 1
1 914 . 16 1 1 A 74 74 VAL HA H 71 2.948 3.601 -0.653 1
1 922 . 16 1 1 A 74 74 VAL C C 71 173.381 174.233 -0.852 1
1 923 . 16 1 1 A 74 74 VAL CA C 71 63.045 63.744 -0.699 1
1 924 . 16 1 1 A 74 74 VAL CB C 71 29.013 29.737 -0.724 1
1 927 . 16 1 1 A 74 74 VAL N N 71 119.301 116.217 3.084 1
1 928 . 16 1 1 A 75 75 VAL H H 72 7.736 7.897 -0.161 1
1 929 . 16 1 1 A 75 75 VAL HA H 72 5.159 5.046 0.113 1
1 937 . 16 1 1 A 75 75 VAL C C 72 175.028 173.661 1.367 1
1 938 . 16 1 1 A 75 75 VAL CA C 72 59.839 60.330 -0.491 1
1 939 . 16 1 1 A 75 75 VAL CB C 72 37.732 35.757 1.975 1
1 942 . 16 1 1 A 75 75 VAL N N 72 116.865 120.294 -3.429 1
1 943 . 16 1 1 A 76 76 VAL H H 73 9.006 9.304 -0.298 1
1 944 . 16 1 1 A 76 76 VAL HA H 73 4.190 4.732 -0.542 1
1 952 . 16 1 1 A 76 76 VAL C C 73 172.177 175.117 -2.940 1
1 953 . 16 1 1 A 76 76 VAL CA C 73 62.473 60.922 1.551 1
1 954 . 16 1 1 A 76 76 VAL CB C 73 32.388 32.795 -0.407 1
1 957 . 16 1 1 A 76 76 VAL N N 73 128.675 128.129 0.546 1
1 958 . 16 1 1 A 77 77 PHE H H 74 9.468 9.177 0.291 1
1 959 . 16 1 1 A 77 77 PHE HA H 74 5.019 5.248 -0.229 1
1 966 . 16 1 1 A 77 77 PHE C C 74 174.420 175.119 -0.699 1
1 967 . 16 1 1 A 77 77 PHE CA C 74 54.378 56.652 -2.274 1
1 968 . 16 1 1 A 77 77 PHE CB C 74 42.230 40.508 1.722 1
1 969 . 16 1 1 A 77 77 PHE N N 74 130.014 126.251 3.763 1
1 970 . 16 1 1 A 78 78 VAL H H 75 8.990 8.880 0.110 1
1 971 . 16 1 1 A 78 78 VAL HA H 75 3.645 4.116 -0.471 1
1 979 . 16 1 1 A 78 78 VAL C C 75 174.813 175.743 -0.930 1
1 980 . 16 1 1 A 78 78 VAL CA C 75 64.452 63.848 0.604 1
1 981 . 16 1 1 A 78 78 VAL CB C 75 31.009 31.547 -0.538 1
1 984 . 16 1 1 A 78 78 VAL N N 75 128.474 125.284 3.190 1
1 985 . 16 1 1 A 79 79 ILE H H 76 8.679 9.354 -0.675 1
1 986 . 16 1 1 A 79 79 ILE HA H 76 4.171 4.245 -0.074 1
1 996 . 16 1 1 A 79 79 ILE C C 76 176.092 175.912 0.180 1
1 997 . 16 1 1 A 79 79 ILE CA C 76 61.635 62.509 -0.874 1
1 998 . 16 1 1 A 79 79 ILE CB C 76 39.982 38.380 1.602 1
1 1002 . 16 1 1 A 79 79 ILE N N 76 122.334 129.086 -6.752 1
1 1003 . 16 1 1 A 80 80 SER H H 77 7.614 7.437 0.177 1
1 1004 . 16 1 1 A 80 80 SER HA H 77 4.724 4.870 -0.146 1
1 1007 . 16 1 1 A 80 80 SER C C 77 172.545 171.961 0.584 1
1 1008 . 16 1 1 A 80 80 SER CA C 77 57.849 57.504 0.345 1
1 1009 . 16 1 1 A 80 80 SER CB C 77 64.733 65.280 -0.547 1
1 1010 . 16 1 1 A 80 80 SER N N 77 113.369 112.532 0.837 1
1 1011 . 16 1 1 A 81 81 VAL H H 78 8.814 9.106 -0.292 1
1 1012 . 16 1 1 A 81 81 VAL HA H 78 5.102 5.098 0.004 1
1 1020 . 16 1 1 A 81 81 VAL C C 78 173.761 174.720 -0.959 1
1 1021 . 16 1 1 A 81 81 VAL CA C 78 61.004 59.833 1.171 1
1 1022 . 16 1 1 A 81 81 VAL CB C 78 34.638 35.620 -0.982 1
1 1025 . 16 1 1 A 81 81 VAL N N 78 123.792 123.488 0.304 1
1 1026 . 16 1 1 A 82 82 GLY H H 79 8.628 8.528 0.100 1
1 1027 . 16 1 1 A 82 82 GLY HA2 H 79 4.365 4.325 0.040 1
1 1028 . 16 1 1 A 82 82 GLY HA3 H 79 4.214 4.455 -0.241 1
1 1029 . 16 1 1 A 82 82 GLY C C 79 171.201 171.784 -0.583 1
1 1030 . 16 1 1 A 82 82 GLY CA C 79 45.606 46.109 -0.503 1
1 1031 . 16 1 1 A 82 82 GLY N N 79 111.112 113.785 -2.673 1
1 1032 . 16 1 1 A 83 83 LYS H H 80 8.670 8.298 0.372 1
1 1033 . 16 1 1 A 83 83 LYS HA H 80 4.205 5.022 -0.817 1
1 1042 . 16 1 1 A 83 83 LYS C C 80 176.080 175.954 0.126 1
1 1043 . 16 1 1 A 83 83 LYS CA C 80 55.451 54.018 1.433 1
1 1044 . 16 1 1 A 83 83 LYS CB C 80 32.665 35.769 -3.104 1
1 1048 . 16 1 1 A 83 83 LYS N N 80 120.943 122.964 -2.021 1
1 1049 . 16 1 1 A 84 84 ALA H H 81 8.049 8.164 -0.115 1
1 1050 . 16 1 1 A 84 84 ALA HA H 81 4.182 4.204 -0.022 1
1 1054 . 16 1 1 A 84 84 ALA C C 81 176.941 178.447 -1.506 1
1 1055 . 16 1 1 A 84 84 ALA CA C 81 52.248 55.024 -2.776 1
1 1056 . 16 1 1 A 84 84 ALA CB C 81 19.450 19.884 -0.434 1
1 1057 . 16 1 1 A 84 84 ALA N N 81 125.262 124.875 0.387 1
1 1058 . 16 1 1 A 85 85 GLU H H 82 8.460 7.914 0.546 1
1 1059 . 16 1 1 A 85 85 GLU HA H 82 4.230 3.867 0.363 1
1 1064 . 16 1 1 A 85 85 GLU C C 82 176.599 176.238 0.361 1
1 1065 . 16 1 1 A 85 85 GLU CA C 82 56.446 58.997 -2.551 1
1 1066 . 16 1 1 A 85 85 GLU CB C 82 29.853 27.419 2.434 1
1 1068 . 16 1 1 A 85 85 GLU N N 82 119.296 113.215 6.081 1
1 1069 . 16 1 1 A 86 86 ALA H H 83 8.403 8.647 -0.244 1
1 1070 . 16 1 1 A 86 86 ALA HA H 83 4.149 4.487 -0.338 1
1 1074 . 16 1 1 A 86 86 ALA C C 83 177.777 176.831 0.946 1
1 1075 . 16 1 1 A 86 86 ALA CA C 83 53.448 51.032 2.416 1
1 1076 . 16 1 1 A 86 86 ALA CB C 83 18.887 18.923 -0.036 1
1 1077 . 16 1 1 A 86 86 ALA N N 83 124.833 120.303 4.530 1
1 1078 . 16 1 1 A 87 87 SER H H 84 8.301 8.343 -0.042 1
1 1079 . 16 1 1 A 87 87 SER HA H 84 4.297 4.410 -0.113 1
1 1082 . 16 1 1 A 87 87 SER C C 84 175.370 174.269 1.101 1
1 1083 . 16 1 1 A 87 87 SER N N 84 113.395 110.430 2.965 1
1 1084 . 16 1 1 A 88 88 GLU H H 85 8.271 8.002 0.269 1
1 1085 . 16 1 1 A 88 88 GLU HA H 85 4.239 3.959 0.280 1
1 1090 . 16 1 1 A 88 88 GLU C C 85 177.081 178.901 -1.820 1
1 1091 . 16 1 1 A 88 88 GLU CA C 85 57.140 59.249 -2.109 1
1 1092 . 16 1 1 A 88 88 GLU CB C 85 29.856 29.528 0.328 1
1 1094 . 16 1 1 A 88 88 GLU N N 85 122.554 120.325 2.229 1
1 1095 . 16 1 1 A 89 89 VAL H H 86 7.833 7.472 0.361 1
1 1096 . 16 1 1 A 89 89 VAL HA H 86 3.895 3.737 0.158 1
1 1104 . 16 1 1 A 89 89 VAL C C 86 177.172 177.040 0.132 1
1 1105 . 16 1 1 A 89 89 VAL CA C 86 63.045 65.339 -2.294 1
1 1106 . 16 1 1 A 89 89 VAL CB C 86 32.107 31.320 0.787 1
1 1109 . 16 1 1 A 89 89 VAL N N 86 119.916 118.971 0.945 1
1 1110 . 16 1 1 A 90 90 TYR H H 87 8.142 7.285 0.857 1
1 1111 . 16 1 1 A 90 90 TYR HA H 87 4.479 4.372 0.107 1
1 1118 . 16 1 1 A 90 90 TYR C C 87 176.637 178.245 -1.608 1
1 1119 . 16 1 1 A 90 90 TYR CA C 87 58.545 61.029 -2.484 1
1 1120 . 16 1 1 A 90 90 TYR CB C 87 37.732 38.755 -1.023 1
1 1121 . 16 1 1 A 90 90 TYR N N 87 122.303 121.501 0.802 1
1 1122 . 16 1 1 A 91 91 SER H H 88 8.090 8.123 -0.033 1
1 1123 . 16 1 1 A 91 91 SER HA H 88 4.335 4.261 0.074 1
1 1126 . 16 1 1 A 91 91 SER C C 88 176.130 177.054 -0.924 1
1 1127 . 16 1 1 A 91 91 SER CA C 88 59.899 61.801 -1.902 1
1 1128 . 16 1 1 A 91 91 SER CB C 88 62.483 62.938 -0.455 1
1 1129 . 16 1 1 A 91 91 SER N N 88 115.828 116.727 -0.899 1
1 1130 . 16 1 1 A 92 92 GLU H H 89 8.234 7.981 0.253 1
1 1131 . 16 1 1 A 92 92 GLU HA H 89 4.213 3.987 0.226 1
1 1136 . 16 1 1 A 92 92 GLU C C 89 177.600 178.829 -1.229 1
1 1137 . 16 1 1 A 92 92 GLU CA C 89 57.701 58.948 -1.247 1
1 1138 . 16 1 1 A 92 92 GLU CB C 89 29.575 29.399 0.176 1
1 1140 . 16 1 1 A 92 92 GLU N N 89 121.225 121.714 -0.489 1
1 1141 . 16 1 1 A 93 93 ALA H H 90 7.960 7.530 0.430 1
1 1142 . 16 1 1 A 93 93 ALA HA H 90 4.025 4.088 -0.063 1
1 1146 . 16 1 1 A 93 93 ALA C C 90 178.550 179.505 -0.955 1
1 1147 . 16 1 1 A 93 93 ALA CA C 90 54.225 55.104 -0.879 1
1 1148 . 16 1 1 A 93 93 ALA CB C 90 18.325 18.416 -0.091 1
1 1149 . 16 1 1 A 93 93 ALA N N 90 122.055 122.567 -0.512 1
1 1150 . 16 1 1 A 94 94 VAL H H 91 7.799 8.185 -0.386 1
1 1151 . 16 1 1 A 94 94 VAL HA H 91 3.818 3.911 -0.093 1
1 1159 . 16 1 1 A 94 94 VAL CA C 91 64.167 64.903 -0.736 1
1 1160 . 16 1 1 A 94 94 VAL CB C 91 31.825 31.573 0.252 1
1 1163 . 16 1 1 A 94 94 VAL N N 91 115.727 116.907 -1.180 1
1 1164 . 16 1 1 A 95 95 LYS H H 92 7.764 8.205 -0.441 1
1 1165 . 16 1 1 A 95 95 LYS HA H 92 4.197 4.280 -0.083 1
1 1174 . 16 1 1 A 95 95 LYS C C 92 177.600 177.817 -0.217 1
1 1175 . 16 1 1 A 95 95 LYS CA C 92 57.139 58.867 -1.728 1
1 1176 . 16 1 1 A 95 95 LYS CB C 92 32.600 32.327 0.273 1
1 1180 . 16 1 1 A 95 95 LYS N N 92 120.823 121.596 -0.773 1
1 1181 . 16 1 1 A 96 96 ARG H H 93 7.970 7.776 0.194 1
1 1182 . 16 1 1 A 96 96 ARG HA H 93 4.341 4.168 0.173 1
1 1189 . 16 1 1 A 96 96 ARG C C 93 179.703 177.722 1.981 1
1 1190 . 16 1 1 A 96 96 ARG CA C 93 56.295 58.689 -2.394 1
1 1191 . 16 1 1 A 96 96 ARG CB C 93 31.400 30.268 1.132 1
1 1194 . 16 1 1 A 96 96 ARG N N 93 119.070 118.767 0.303 1
1 1195 . 16 1 1 A 97 97 ILE H H 94 8.012 7.704 0.308 1
1 1196 . 16 1 1 A 97 97 ILE HA H 94 4.216 4.017 0.199 1
1 1206 . 16 1 1 A 97 97 ILE C C 94 175.509 176.690 -1.181 1
1 1207 . 16 1 1 A 97 97 ILE CA C 94 61.362 63.235 -1.873 1
1 1208 . 16 1 1 A 97 97 ILE CB C 94 38.576 39.308 -0.732 1
1 1212 . 16 1 1 A 97 97 ILE N N 94 120.512 118.688 1.824 1
1 16 . 17 1 1 A 5 5 ALA H H 2 8.084 8.476 -0.392 1
1 17 . 17 1 1 A 5 5 ALA HA H 2 4.423 5.439 -1.016 1
1 21 . 17 1 1 A 5 5 ALA C C 2 176.536 175.708 0.828 1
1 22 . 17 1 1 A 5 5 ALA CA C 2 51.634 50.537 1.097 1
1 23 . 17 1 1 A 5 5 ALA CB C 2 19.439 23.559 -4.120 1
1 24 . 17 1 1 A 5 5 ALA N N 2 125.284 121.850 3.434 1
1 25 . 17 1 1 A 6 6 TYR H H 3 8.406 9.116 -0.710 1
1 26 . 17 1 1 A 6 6 TYR HA H 3 4.312 4.845 -0.533 1
1 33 . 17 1 1 A 6 6 TYR C C 3 175.433 175.693 -0.260 1
1 34 . 17 1 1 A 6 6 TYR CA C 3 57.701 56.667 1.034 1
1 35 . 17 1 1 A 6 6 TYR CB C 3 39.701 41.674 -1.973 1
1 36 . 17 1 1 A 6 6 TYR N N 3 120.887 118.926 1.961 1
1 37 . 17 1 1 A 7 7 PHE H H 4 8.703 9.485 -0.782 1
1 38 . 17 1 1 A 7 7 PHE HA H 4 4.645 4.796 -0.151 1
1 45 . 17 1 1 A 7 7 PHE C C 4 173.812 174.971 -1.159 1
1 46 . 17 1 1 A 7 7 PHE CA C 4 56.853 58.359 -1.506 1
1 47 . 17 1 1 A 7 7 PHE CB C 4 40.541 39.960 0.581 1
1 48 . 17 1 1 A 7 7 PHE N N 4 119.295 120.201 -0.906 1
1 49 . 17 1 1 A 8 8 LEU H H 5 8.255 8.813 -0.558 1
1 50 . 17 1 1 A 8 8 LEU HA H 5 4.985 5.080 -0.095 1
1 60 . 17 1 1 A 8 8 LEU C C 5 174.927 174.298 0.629 1
1 61 . 17 1 1 A 8 8 LEU CA C 5 53.544 53.603 -0.059 1
1 62 . 17 1 1 A 8 8 LEU CB C 5 44.201 45.399 -1.198 1
1 66 . 17 1 1 A 8 8 LEU N N 5 124.516 123.398 1.118 1
1 67 . 17 1 1 A 9 9 ASP H H 6 9.047 8.932 0.115 1
1 68 . 17 1 1 A 9 9 ASP HA H 6 5.089 5.372 -0.283 1
1 71 . 17 1 1 A 9 9 ASP C C 6 173.216 173.896 -0.680 1
1 72 . 17 1 1 A 9 9 ASP CA C 6 52.278 52.704 -0.426 1
1 73 . 17 1 1 A 9 9 ASP CB C 6 45.326 45.032 0.294 1
1 74 . 17 1 1 A 9 9 ASP N N 6 126.171 126.031 0.140 1
1 75 . 17 1 1 A 10 10 PHE H H 7 8.891 8.722 0.169 1
1 76 . 17 1 1 A 10 10 PHE HA H 7 4.545 4.580 -0.035 1
1 83 . 17 1 1 A 10 10 PHE C C 7 175.218 174.250 0.968 1
1 84 . 17 1 1 A 10 10 PHE CA C 7 56.243 56.167 0.076 1
1 85 . 17 1 1 A 10 10 PHE CB C 7 43.638 42.178 1.460 1
1 86 . 17 1 1 A 10 10 PHE N N 7 119.178 120.395 -1.217 1
1 87 . 17 1 1 A 11 11 ASP H H 8 8.124 8.319 -0.195 1
1 88 . 17 1 1 A 11 11 ASP HA H 8 4.551 4.664 -0.113 1
1 91 . 17 1 1 A 11 11 ASP C C 8 177.157 177.342 -0.185 1
1 92 . 17 1 1 A 11 11 ASP CA C 8 54.315 54.198 0.117 1
1 93 . 17 1 1 A 11 11 ASP CB C 8 44.201 42.495 1.706 1
1 94 . 17 1 1 A 11 11 ASP N N 8 123.305 123.964 -0.659 1
1 95 . 17 1 1 A 12 12 GLU H H 9 9.197 9.002 0.195 1
1 96 . 17 1 1 A 12 12 GLU HA H 9 4.016 4.080 -0.064 1
1 101 . 17 1 1 A 12 12 GLU C C 9 178.880 178.787 0.093 1
1 102 . 17 1 1 A 12 12 GLU CA C 9 60.365 59.468 0.897 1
1 103 . 17 1 1 A 12 12 GLU CB C 9 29.670 29.325 0.345 1
1 105 . 17 1 1 A 12 12 GLU N N 9 127.082 123.015 4.067 1
1 106 . 17 1 1 A 13 13 ARG H H 10 8.949 8.451 0.498 1
1 107 . 17 1 1 A 13 13 ARG HA H 10 4.097 4.091 0.006 1
1 114 . 17 1 1 A 13 13 ARG C C 10 179.273 178.553 0.720 1
1 115 . 17 1 1 A 13 13 ARG CA C 10 58.924 59.036 -0.112 1
1 116 . 17 1 1 A 13 13 ARG CB C 10 30.138 29.920 0.218 1
1 119 . 17 1 1 A 13 13 ARG N N 10 119.265 119.320 -0.055 1
1 120 . 17 1 1 A 14 14 ALA H H 11 7.451 8.135 -0.684 1
1 121 . 17 1 1 A 14 14 ALA HA H 11 4.685 4.155 0.530 1
1 125 . 17 1 1 A 14 14 ALA C C 11 179.564 180.315 -0.751 1
1 126 . 17 1 1 A 14 14 ALA CA C 11 53.705 55.078 -1.373 1
1 127 . 17 1 1 A 14 14 ALA CB C 11 18.325 18.158 0.167 1
1 128 . 17 1 1 A 14 14 ALA N N 11 122.421 122.012 0.409 1
1 129 . 17 1 1 A 15 15 LEU H H 12 8.683 8.273 0.410 1
1 130 . 17 1 1 A 15 15 LEU HA H 12 3.877 3.792 0.085 1
1 140 . 17 1 1 A 15 15 LEU C C 12 178.550 179.236 -0.686 1
1 141 . 17 1 1 A 15 15 LEU CA C 12 57.139 57.525 -0.386 1
1 142 . 17 1 1 A 15 15 LEU CB C 12 41.103 41.305 -0.202 1
1 146 . 17 1 1 A 15 15 LEU N N 12 120.118 119.153 0.965 1
1 147 . 17 1 1 A 16 16 LYS H H 13 7.345 8.154 -0.809 1
1 148 . 17 1 1 A 16 16 LYS HA H 13 3.995 3.916 0.079 1
1 157 . 17 1 1 A 16 16 LYS C C 13 179.678 179.800 -0.122 1
1 158 . 17 1 1 A 16 16 LYS CA C 13 59.700 60.402 -0.702 1
1 159 . 17 1 1 A 16 16 LYS CB C 13 32.388 31.979 0.409 1
1 163 . 17 1 1 A 16 16 LYS N N 13 117.725 117.984 -0.259 1
1 164 . 17 1 1 A 17 17 GLU H H 14 7.453 8.364 -0.911 1
1 165 . 17 1 1 A 17 17 GLU HA H 14 4.016 4.094 -0.078 1
1 170 . 17 1 1 A 17 17 GLU C C 14 179.589 179.005 0.584 1
1 171 . 17 1 1 A 17 17 GLU CA C 14 58.841 59.185 -0.344 1
1 172 . 17 1 1 A 17 17 GLU CB C 14 29.298 29.316 -0.018 1
1 174 . 17 1 1 A 17 17 GLU N N 14 118.019 119.842 -1.823 1
1 175 . 17 1 1 A 18 18 TRP H H 15 9.081 8.547 0.534 1
1 176 . 17 1 1 A 18 18 TRP HA H 15 4.174 4.179 -0.005 1
1 183 . 17 1 1 A 18 18 TRP C C 15 178.360 178.660 -0.300 1
1 184 . 17 1 1 A 18 18 TRP CA C 15 59.938 61.023 -1.085 1
1 185 . 17 1 1 A 18 18 TRP CB C 15 30.241 29.541 0.700 1
1 186 . 17 1 1 A 18 18 TRP N N 15 122.628 122.111 0.517 1
1 188 . 17 1 1 A 19 19 ARG H H 16 8.197 8.336 -0.139 1
1 189 . 17 1 1 A 19 19 ARG HA H 16 3.863 4.083 -0.220 1
1 196 . 17 1 1 A 19 19 ARG C C 16 177.030 178.724 -1.694 1
1 197 . 17 1 1 A 19 19 ARG CA C 16 58.516 58.862 -0.346 1
1 198 . 17 1 1 A 19 19 ARG CB C 16 30.300 29.659 0.641 1
1 201 . 17 1 1 A 19 19 ARG N N 16 115.582 118.578 -2.996 1
1 202 . 17 1 1 A 20 20 LYS H H 17 7.308 7.689 -0.381 1
1 203 . 17 1 1 A 20 20 LYS HA H 17 4.238 4.111 0.127 1
1 212 . 17 1 1 A 20 20 LYS C C 17 177.043 177.326 -0.283 1
1 213 . 17 1 1 A 20 20 LYS CA C 17 56.270 59.089 -2.819 1
1 214 . 17 1 1 A 20 20 LYS CB C 17 32.300 32.312 -0.012 1
1 218 . 17 1 1 A 20 20 LYS N N 17 116.689 119.804 -3.115 1
1 219 . 17 1 1 A 21 21 LEU H H 18 6.998 7.893 -0.895 1
1 220 . 17 1 1 A 21 21 LEU HA H 18 4.026 4.112 -0.086 1
1 230 . 17 1 1 A 21 21 LEU C C 18 177.676 177.434 0.242 1
1 231 . 17 1 1 A 21 21 LEU CA C 18 54.567 55.341 -0.774 1
1 232 . 17 1 1 A 21 21 LEU CB C 18 43.357 42.111 1.246 1
1 236 . 17 1 1 A 21 21 LEU N N 18 118.778 120.716 -1.938 1
1 237 . 17 1 1 A 22 22 GLY H H 19 8.370 8.354 0.016 1
1 238 . 17 1 1 A 22 22 GLY HA2 H 19 4.064 3.944 0.120 1
1 239 . 17 1 1 A 22 22 GLY HA3 H 19 3.845 3.972 -0.127 1
1 240 . 17 1 1 A 22 22 GLY C C 19 174.813 174.996 -0.183 1
1 241 . 17 1 1 A 22 22 GLY CA C 19 45.045 45.394 -0.349 1
1 242 . 17 1 1 A 22 22 GLY N N 19 107.490 109.748 -2.258 1
1 243 . 17 1 1 A 23 23 SER H H 20 8.675 8.922 -0.247 1
1 244 . 17 1 1 A 23 23 SER HA H 20 4.288 4.012 0.276 1
1 247 . 17 1 1 A 23 23 SER CA C 20 58.981 61.907 -2.926 1
1 248 . 17 1 1 A 23 23 SER CB C 20 63.045 62.287 0.758 1
1 249 . 17 1 1 A 23 23 SER N N 20 117.877 118.293 -0.416 1
1 250 . 17 1 1 A 24 24 THR H H 21 8.216 7.870 0.346 1
1 251 . 17 1 1 A 24 24 THR HA H 21 3.983 3.931 0.052 1
1 256 . 17 1 1 A 24 24 THR C C 21 176.510 176.685 -0.175 1
1 257 . 17 1 1 A 24 24 THR CA C 21 65.858 66.311 -0.453 1
1 258 . 17 1 1 A 24 24 THR CB C 21 67.941 68.119 -0.178 1
1 260 . 17 1 1 A 24 24 THR N N 21 115.680 117.118 -1.438 1
1 261 . 17 1 1 A 25 25 VAL H H 22 7.143 7.906 -0.763 1
1 262 . 17 1 1 A 25 25 VAL HA H 22 3.545 3.343 0.202 1
1 270 . 17 1 1 A 25 25 VAL C C 22 177.613 177.636 -0.023 1
1 271 . 17 1 1 A 25 25 VAL CA C 22 65.577 66.691 -1.114 1
1 272 . 17 1 1 A 25 25 VAL CB C 22 31.544 31.097 0.447 1
1 275 . 17 1 1 A 25 25 VAL N N 22 122.443 121.651 0.792 1
1 276 . 17 1 1 A 26 26 ARG H H 23 7.840 8.092 -0.252 1
1 277 . 17 1 1 A 26 26 ARG HA H 23 3.156 3.523 -0.367 1
1 284 . 17 1 1 A 26 26 ARG C C 23 177.790 178.275 -0.485 1
1 285 . 17 1 1 A 26 26 ARG CA C 23 59.951 58.347 1.604 1
1 286 . 17 1 1 A 26 26 ARG CB C 23 29.590 28.849 0.741 1
1 289 . 17 1 1 A 26 26 ARG N N 23 119.146 119.699 -0.553 1
1 290 . 17 1 1 A 27 27 GLU H H 24 8.159 8.418 -0.259 1
1 291 . 17 1 1 A 27 27 GLU HA H 24 3.970 4.059 -0.089 1
1 296 . 17 1 1 A 27 27 GLU C C 24 179.577 179.452 0.125 1
1 297 . 17 1 1 A 27 27 GLU CA C 24 59.400 59.137 0.263 1
1 298 . 17 1 1 A 27 27 GLU CB C 24 29.013 29.313 -0.300 1
1 300 . 17 1 1 A 27 27 GLU N N 24 116.672 118.545 -1.873 1
1 301 . 17 1 1 A 28 28 GLN H H 25 7.693 7.661 0.032 1
1 302 . 17 1 1 A 28 28 GLN HA H 25 4.094 4.042 0.052 1
1 309 . 17 1 1 A 28 28 GLN C C 25 179.919 179.313 0.606 1
1 310 . 17 1 1 A 28 28 GLN CA C 25 59.108 58.592 0.516 1
1 311 . 17 1 1 A 28 28 GLN CB C 25 29.575 28.322 1.253 1
1 313 . 17 1 1 A 28 28 GLN N N 25 118.482 118.709 -0.227 1
1 315 . 17 1 1 A 29 29 LEU H H 26 8.441 8.119 0.322 1
1 316 . 17 1 1 A 29 29 LEU HA H 26 4.096 4.163 -0.067 1
1 326 . 17 1 1 A 29 29 LEU C C 26 178.804 179.395 -0.591 1
1 327 . 17 1 1 A 29 29 LEU CA C 26 57.983 58.004 -0.021 1
1 328 . 17 1 1 A 29 29 LEU CB C 26 42.513 41.370 1.143 1
1 332 . 17 1 1 A 29 29 LEU N N 26 119.907 120.044 -0.137 1
1 333 . 17 1 1 A 30 30 LYS H H 27 9.233 8.803 0.430 1
1 334 . 17 1 1 A 30 30 LYS HA H 27 4.076 4.210 -0.134 1
1 343 . 17 1 1 A 30 30 LYS C C 27 178.056 178.623 -0.567 1
1 344 . 17 1 1 A 30 30 LYS CA C 27 60.233 59.841 0.392 1
1 345 . 17 1 1 A 30 30 LYS CB C 27 32.103 32.525 -0.422 1
1 349 . 17 1 1 A 30 30 LYS N N 27 120.508 120.462 0.046 1
1 350 . 17 1 1 A 31 31 LYS H H 28 7.698 7.903 -0.205 1
1 351 . 17 1 1 A 31 31 LYS HA H 28 4.056 4.054 0.002 1
1 360 . 17 1 1 A 31 31 LYS C C 28 179.539 179.598 -0.059 1
1 361 . 17 1 1 A 31 31 LYS CA C 28 59.596 59.758 -0.162 1
1 362 . 17 1 1 A 31 31 LYS CB C 28 32.400 32.301 0.099 1
1 366 . 17 1 1 A 31 31 LYS N N 28 117.412 117.940 -0.528 1
1 367 . 17 1 1 A 32 32 LYS H H 29 7.347 7.284 0.063 1
1 368 . 17 1 1 A 32 32 LYS HA H 29 4.230 4.033 0.197 1
1 377 . 17 1 1 A 32 32 LYS C C 29 179.057 179.312 -0.255 1
1 378 . 17 1 1 A 32 32 LYS CA C 29 57.553 59.478 -1.925 1
1 379 . 17 1 1 A 32 32 LYS CB C 29 32.103 32.400 -0.297 1
1 383 . 17 1 1 A 32 32 LYS N N 29 116.983 120.658 -3.675 1
1 384 . 17 1 1 A 33 33 LEU H H 30 8.663 8.162 0.501 1
1 385 . 17 1 1 A 33 33 LEU HA H 30 3.844 3.966 -0.122 1
1 395 . 17 1 1 A 33 33 LEU C C 30 177.765 179.188 -1.423 1
1 396 . 17 1 1 A 33 33 LEU CA C 30 57.420 58.062 -0.642 1
1 397 . 17 1 1 A 33 33 LEU CB C 30 42.513 42.013 0.500 1
1 401 . 17 1 1 A 33 33 LEU N N 30 121.134 120.491 0.643 1
1 402 . 17 1 1 A 34 34 VAL H H 31 8.185 8.442 -0.257 1
1 403 . 17 1 1 A 34 34 VAL HA H 31 3.548 3.713 -0.165 1
1 411 . 17 1 1 A 34 34 VAL C C 31 178.639 177.462 1.177 1
1 412 . 17 1 1 A 34 34 VAL CA C 31 66.702 65.615 1.087 1
1 413 . 17 1 1 A 34 34 VAL CB C 31 31.544 31.265 0.279 1
1 416 . 17 1 1 A 34 34 VAL N N 31 117.076 119.407 -2.331 1
1 417 . 17 1 1 A 35 35 GLU H H 32 7.143 8.106 -0.963 1
1 418 . 17 1 1 A 35 35 GLU HA H 32 4.093 4.041 0.052 1
1 423 . 17 1 1 A 35 35 GLU C C 32 179.450 178.740 0.710 1
1 424 . 17 1 1 A 35 35 GLU CA C 32 58.264 59.134 -0.870 1
1 425 . 17 1 1 A 35 35 GLU CB C 32 29.575 29.124 0.451 1
1 427 . 17 1 1 A 35 35 GLU N N 32 117.290 120.022 -2.732 1
1 428 . 17 1 1 A 36 36 VAL H H 33 7.659 8.297 -0.638 1
1 429 . 17 1 1 A 36 36 VAL HA H 33 3.774 3.817 -0.043 1
1 437 . 17 1 1 A 36 36 VAL C C 33 176.929 177.555 -0.626 1
1 438 . 17 1 1 A 36 36 VAL CA C 33 63.889 64.947 -1.058 1
1 439 . 17 1 1 A 36 36 VAL CB C 33 31.825 31.234 0.591 1
1 442 . 17 1 1 A 36 36 VAL N N 33 118.056 119.806 -1.750 1
1 443 . 17 1 1 A 37 37 LEU H H 34 7.679 7.782 -0.103 1
1 444 . 17 1 1 A 37 37 LEU HA H 34 3.619 3.818 -0.199 1
1 454 . 17 1 1 A 37 37 LEU C C 34 177.968 179.462 -1.494 1
1 455 . 17 1 1 A 37 37 LEU CA C 34 57.420 57.232 0.188 1
1 456 . 17 1 1 A 37 37 LEU CB C 34 40.263 41.370 -1.107 1
1 460 . 17 1 1 A 37 37 LEU N N 34 116.847 121.101 -4.254 1
1 461 . 17 1 1 A 38 38 GLU H H 35 7.238 8.520 -1.282 1
1 462 . 17 1 1 A 38 38 GLU HA H 35 4.295 4.663 -0.368 1
1 467 . 17 1 1 A 38 38 GLU C C 35 177.853 176.869 0.984 1
1 468 . 17 1 1 A 38 38 GLU CA C 35 57.900 58.396 -0.496 1
1 469 . 17 1 1 A 38 38 GLU CB C 35 30.138 28.846 1.292 1
1 471 . 17 1 1 A 38 38 GLU N N 35 113.881 116.585 -2.704 1
1 472 . 17 1 1 A 39 39 SER H H 36 7.101 7.617 -0.516 1
1 473 . 17 1 1 A 39 39 SER HA H 36 4.518 4.990 -0.472 1
1 476 . 17 1 1 A 39 39 SER CA C 36 55.553 55.386 0.167 1
1 477 . 17 1 1 A 39 39 SER CB C 36 61.920 63.411 -1.491 1
1 478 . 17 1 1 A 39 39 SER N N 36 109.128 115.730 -6.602 1
1 479 . 17 1 1 A 40 40 PRO HA H 37 4.363 4.201 0.162 1
1 486 . 17 1 1 A 40 40 PRO C C 37 177.879 177.473 0.406 1
1 487 . 17 1 1 A 40 40 PRO CA C 37 64.705 64.092 0.613 1
1 488 . 17 1 1 A 40 40 PRO CB C 37 32.669 31.554 1.115 1
1 491 . 17 1 1 A 41 41 ARG H H 38 8.299 8.505 -0.206 1
1 492 . 17 1 1 A 41 41 ARG HA H 38 3.183 4.757 -1.574 1
1 499 . 17 1 1 A 41 41 ARG C C 38 174.217 175.386 -1.169 1
1 500 . 17 1 1 A 41 41 ARG CA C 38 56.014 56.135 -0.121 1
1 501 . 17 1 1 A 41 41 ARG CB C 38 29.571 29.463 0.108 1
1 504 . 17 1 1 A 41 41 ARG N N 38 121.121 115.589 5.532 1
1 505 . 17 1 1 A 42 42 ILE H H 39 5.995 8.053 -2.058 1
1 506 . 17 1 1 A 42 42 ILE HA H 39 4.177 4.401 -0.224 1
1 516 . 17 1 1 A 42 42 ILE C C 39 176.295 177.020 -0.725 1
1 517 . 17 1 1 A 42 42 ILE CA C 39 59.389 60.890 -1.501 1
1 518 . 17 1 1 A 42 42 ILE CB C 39 39.138 38.527 0.611 1
1 522 . 17 1 1 A 42 42 ILE N N 39 128.247 122.827 5.420 1
1 523 . 17 1 1 A 43 43 GLU H H 40 8.893 8.900 -0.007 1
1 524 . 17 1 1 A 43 43 GLU HA H 40 4.174 4.117 0.057 1
1 529 . 17 1 1 A 43 43 GLU C C 40 178.918 178.496 0.422 1
1 530 . 17 1 1 A 43 43 GLU CA C 40 60.336 59.023 1.313 1
1 531 . 17 1 1 A 43 43 GLU CB C 40 29.100 29.081 0.019 1
1 533 . 17 1 1 A 43 43 GLU N N 40 130.055 127.595 2.460 1
1 534 . 17 1 1 A 44 44 ALA H H 41 8.851 7.894 0.957 1
1 535 . 17 1 1 A 44 44 ALA HA H 41 4.222 4.143 0.079 1
1 539 . 17 1 1 A 44 44 ALA C C 41 178.069 178.200 -0.131 1
1 540 . 17 1 1 A 44 44 ALA CA C 41 54.148 54.144 0.004 1
1 541 . 17 1 1 A 44 44 ALA CB C 41 18.606 18.310 0.296 1
1 542 . 17 1 1 A 44 44 ALA N N 41 119.773 122.669 -2.896 1
1 543 . 17 1 1 A 45 45 ASN H H 42 8.176 7.967 0.209 1
1 544 . 17 1 1 A 45 45 ASN HA H 42 5.046 4.789 0.257 1
1 549 . 17 1 1 A 45 45 ASN C C 42 174.521 175.479 -0.958 1
1 550 . 17 1 1 A 45 45 ASN CA C 42 51.495 53.070 -1.575 1
1 551 . 17 1 1 A 45 45 ASN CB C 42 38.853 39.742 -0.889 1
1 552 . 17 1 1 A 45 45 ASN N N 42 114.425 114.569 -0.144 1
1 554 . 17 1 1 A 46 46 LYS H H 43 7.524 7.382 0.142 1
1 555 . 17 1 1 A 46 46 LYS HA H 43 3.769 4.041 -0.272 1
1 564 . 17 1 1 A 46 46 LYS C C 43 176.143 176.170 -0.027 1
1 565 . 17 1 1 A 46 46 LYS CA C 43 56.858 56.252 0.606 1
1 566 . 17 1 1 A 46 46 LYS CB C 43 33.232 32.622 0.610 1
1 570 . 17 1 1 A 46 46 LYS N N 43 122.393 120.615 1.778 1
1 571 . 17 1 1 A 47 47 LEU H H 44 7.982 8.605 -0.623 1
1 572 . 17 1 1 A 47 47 LEU HA H 44 4.374 4.370 0.004 1
1 582 . 17 1 1 A 47 47 LEU C C 44 176.143 178.173 -2.030 1
1 583 . 17 1 1 A 47 47 LEU CA C 44 53.746 54.732 -0.986 1
1 584 . 17 1 1 A 47 47 LEU CB C 44 41.951 42.148 -0.197 1
1 588 . 17 1 1 A 47 47 LEU N N 44 127.624 124.738 2.886 1
1 589 . 17 1 1 A 48 48 ARG H H 45 8.549 8.609 -0.060 1
1 590 . 17 1 1 A 48 48 ARG HA H 45 4.346 4.038 0.308 1
1 597 . 17 1 1 A 48 48 ARG CA C 45 55.800 59.129 -3.329 1
1 598 . 17 1 1 A 48 48 ARG CB C 45 31.263 30.323 0.940 1
1 601 . 17 1 1 A 48 48 ARG N N 45 125.873 122.819 3.054 1
1 602 . 17 1 1 A 49 49 GLY H H 46 8.800 7.937 0.863 1
1 603 . 17 1 1 A 49 49 GLY HA2 H 46 3.760 3.940 -0.180 1
1 604 . 17 1 1 A 49 49 GLY HA3 H 46 4.070 3.941 0.129 1
1 605 . 17 1 1 A 49 49 GLY C C 46 173.482 172.781 0.701 1
1 606 . 17 1 1 A 49 49 GLY CA C 46 45.326 46.407 -1.081 1
1 607 . 17 1 1 A 49 49 GLY N N 46 111.980 107.362 4.618 1
1 608 . 17 1 1 A 50 50 MET H H 47 7.272 7.496 -0.224 1
1 609 . 17 1 1 A 50 50 MET HA H 47 4.921 4.933 -0.012 1
1 617 . 17 1 1 A 50 50 MET CA C 47 52.049 53.466 -1.417 1
1 618 . 17 1 1 A 50 50 MET CB C 47 33.794 35.757 -1.963 1
1 621 . 17 1 1 A 50 50 MET N N 47 119.077 119.187 -0.110 1
1 622 . 17 1 1 A 51 51 PRO HA H 48 4.294 4.479 -0.185 1
1 629 . 17 1 1 A 51 51 PRO C C 48 176.460 176.874 -0.414 1
1 630 . 17 1 1 A 51 51 PRO CA C 48 63.879 63.143 0.736 1
1 631 . 17 1 1 A 51 51 PRO CB C 48 31.825 30.853 0.972 1
1 634 . 17 1 1 A 52 52 ASP H H 49 8.661 8.383 0.278 1
1 635 . 17 1 1 A 52 52 ASP HA H 49 4.487 4.034 0.453 1
1 638 . 17 1 1 A 52 52 ASP C C 49 174.065 174.970 -0.905 1
1 639 . 17 1 1 A 52 52 ASP CA C 49 56.042 54.890 1.152 1
1 640 . 17 1 1 A 52 52 ASP CB C 49 41.107 39.766 1.341 1
1 641 . 17 1 1 A 52 52 ASP N N 49 116.477 116.672 -0.195 1
1 642 . 17 1 1 A 53 53 CYS H H 50 7.575 7.822 -0.247 1
1 643 . 17 1 1 A 53 53 CYS HA H 50 5.835 5.230 0.605 1
1 646 . 17 1 1 A 53 53 CYS C C 50 173.444 173.276 0.168 1
1 647 . 17 1 1 A 53 53 CYS CA C 50 58.110 57.958 0.152 1
1 648 . 17 1 1 A 53 53 CYS CB C 50 30.700 29.877 0.823 1
1 649 . 17 1 1 A 53 53 CYS N N 50 114.414 117.587 -3.173 1
1 650 . 17 1 1 A 54 54 TYR H H 51 8.806 9.243 -0.437 1
1 651 . 17 1 1 A 54 54 TYR HA H 51 4.737 5.420 -0.683 1
1 658 . 17 1 1 A 54 54 TYR C C 51 172.950 174.092 -1.142 1
1 659 . 17 1 1 A 54 54 TYR CA C 51 56.066 56.218 -0.152 1
1 660 . 17 1 1 A 54 54 TYR CB C 51 42.794 43.247 -0.453 1
1 661 . 17 1 1 A 54 54 TYR N N 51 120.858 120.749 0.109 1
1 662 . 17 1 1 A 55 55 LYS H H 52 8.425 8.799 -0.374 1
1 663 . 17 1 1 A 55 55 LYS HA H 52 5.687 5.270 0.417 1
1 672 . 17 1 1 A 55 55 LYS C C 52 176.498 174.868 1.630 1
1 673 . 17 1 1 A 55 55 LYS CA C 52 53.291 54.346 -1.055 1
1 674 . 17 1 1 A 55 55 LYS CB C 52 36.325 36.151 0.174 1
1 678 . 17 1 1 A 55 55 LYS N N 52 115.794 118.271 -2.477 1
1 679 . 17 1 1 A 56 56 ILE H H 53 9.187 9.365 -0.178 1
1 680 . 17 1 1 A 56 56 ILE HA H 53 4.416 4.972 -0.556 1
1 690 . 17 1 1 A 56 56 ILE C C 53 174.572 175.297 -0.725 1
1 691 . 17 1 1 A 56 56 ILE CA C 53 60.971 59.915 1.056 1
1 692 . 17 1 1 A 56 56 ILE CB C 53 41.388 40.642 0.746 1
1 696 . 17 1 1 A 56 56 ILE N N 53 120.315 124.143 -3.828 1
1 697 . 17 1 1 A 57 57 LYS H H 54 8.755 9.174 -0.419 1
1 698 . 17 1 1 A 57 57 LYS HA H 54 5.043 5.130 -0.087 1
1 707 . 17 1 1 A 57 57 LYS C C 54 175.193 174.848 0.345 1
1 708 . 17 1 1 A 57 57 LYS CA C 54 54.359 54.583 -0.224 1
1 709 . 17 1 1 A 57 57 LYS CB C 54 35.482 35.224 0.258 1
1 713 . 17 1 1 A 57 57 LYS N N 54 125.616 124.543 1.073 1
1 714 . 17 1 1 A 58 58 LEU H H 55 8.449 9.345 -0.896 1
1 715 . 17 1 1 A 58 58 LEU HA H 55 4.796 4.510 0.286 1
1 725 . 17 1 1 A 58 58 LEU CA C 55 53.201 54.378 -1.177 1
1 726 . 17 1 1 A 58 58 LEU CB C 55 41.669 41.439 0.230 1
1 730 . 17 1 1 A 58 58 LEU N N 55 124.214 125.796 -1.582 1
1 731 . 17 1 1 A 59 59 ARG HA H 56 4.008 4.188 -0.180 1
1 738 . 17 1 1 A 59 59 ARG CA C 56 57.420 58.684 -1.264 1
1 739 . 17 1 1 A 59 59 ARG CB C 56 29.575 29.929 -0.354 1
1 742 . 17 1 1 A 60 60 SER HA H 57 4.246 4.476 -0.230 1
1 745 . 17 1 1 A 60 60 SER CA C 57 59.798 59.414 0.384 1
1 746 . 17 1 1 A 60 60 SER CB C 57 63.045 63.881 -0.836 1
1 747 . 17 1 1 A 61 61 SER HA H 58 4.616 4.774 -0.158 1
1 750 . 17 1 1 A 61 61 SER C C 58 175.155 174.984 0.171 1
1 751 . 17 1 1 A 61 61 SER CA C 58 58.010 59.066 -1.056 1
1 752 . 17 1 1 A 61 61 SER CB C 58 64.452 66.046 -1.594 1
1 753 . 17 1 1 A 62 62 GLY H H 59 8.217 8.864 -0.647 1
1 754 . 17 1 1 A 62 62 GLY HA2 H 59 3.926 3.869 0.057 1
1 755 . 17 1 1 A 62 62 GLY HA3 H 59 4.010 3.916 0.094 1
1 756 . 17 1 1 A 62 62 GLY C C 59 174.407 173.972 0.435 1
1 757 . 17 1 1 A 62 62 GLY CA C 59 45.888 45.566 0.322 1
1 758 . 17 1 1 A 62 62 GLY N N 59 109.272 108.857 0.415 1
1 759 . 17 1 1 A 63 63 TYR H H 60 7.463 7.883 -0.420 1
1 760 . 17 1 1 A 63 63 TYR HA H 60 4.629 4.780 -0.151 1
1 767 . 17 1 1 A 63 63 TYR C C 60 175.117 174.944 0.173 1
1 768 . 17 1 1 A 63 63 TYR CA C 60 59.857 57.737 2.120 1
1 769 . 17 1 1 A 63 63 TYR CB C 60 41.388 40.850 0.538 1
1 770 . 17 1 1 A 63 63 TYR N N 60 117.638 118.807 -1.169 1
1 771 . 17 1 1 A 64 64 ARG H H 61 9.261 9.197 0.064 1
1 772 . 17 1 1 A 64 64 ARG HA H 61 5.458 5.683 -0.225 1
1 779 . 17 1 1 A 64 64 ARG C C 61 173.596 174.698 -1.102 1
1 780 . 17 1 1 A 64 64 ARG CA C 61 53.880 54.389 -0.509 1
1 781 . 17 1 1 A 64 64 ARG CB C 61 34.357 34.633 -0.276 1
1 784 . 17 1 1 A 64 64 ARG N N 61 119.605 121.091 -1.486 1
1 785 . 17 1 1 A 65 65 LEU H H 62 9.085 9.231 -0.146 1
1 786 . 17 1 1 A 65 65 LEU HA H 62 5.432 5.314 0.118 1
1 796 . 17 1 1 A 65 65 LEU C C 62 174.534 174.453 0.081 1
1 797 . 17 1 1 A 65 65 LEU CA C 62 53.795 53.916 -0.121 1
1 798 . 17 1 1 A 65 65 LEU CB C 62 46.732 46.422 0.310 1
1 802 . 17 1 1 A 65 65 LEU N N 62 125.189 124.735 0.454 1
1 803 . 17 1 1 A 66 66 VAL H H 63 9.058 8.975 0.083 1
1 804 . 17 1 1 A 66 66 VAL HA H 63 4.991 5.116 -0.125 1
1 812 . 17 1 1 A 66 66 VAL C C 63 174.699 174.921 -0.222 1
1 813 . 17 1 1 A 66 66 VAL CA C 63 60.795 60.685 0.110 1
1 814 . 17 1 1 A 66 66 VAL CB C 63 34.075 34.092 -0.017 1
1 817 . 17 1 1 A 66 66 VAL N N 63 125.140 125.455 -0.315 1
1 818 . 17 1 1 A 67 67 TYR H H 64 9.091 8.798 0.293 1
1 819 . 17 1 1 A 67 67 TYR HA H 64 5.659 5.584 0.075 1
1 826 . 17 1 1 A 67 67 TYR C C 64 170.910 173.080 -2.170 1
1 827 . 17 1 1 A 67 67 TYR CA C 64 54.286 55.232 -0.946 1
1 828 . 17 1 1 A 67 67 TYR CB C 64 41.951 42.041 -0.090 1
1 829 . 17 1 1 A 67 67 TYR N N 64 124.150 123.721 0.429 1
1 830 . 17 1 1 A 68 68 GLN H H 65 9.814 9.341 0.473 1
1 831 . 17 1 1 A 68 68 GLN HA H 65 5.510 5.245 0.265 1
1 838 . 17 1 1 A 68 68 GLN C C 65 175.725 174.878 0.847 1
1 839 . 17 1 1 A 68 68 GLN CA C 65 53.092 54.522 -1.430 1
1 840 . 17 1 1 A 68 68 GLN CB C 65 32.600 31.616 0.984 1
1 842 . 17 1 1 A 68 68 GLN N N 65 123.050 119.323 3.727 1
1 844 . 17 1 1 A 69 69 VAL H H 66 9.198 9.707 -0.509 1
1 845 . 17 1 1 A 69 69 VAL HA H 66 4.369 4.620 -0.251 1
1 853 . 17 1 1 A 69 69 VAL C C 66 175.357 175.109 0.248 1
1 854 . 17 1 1 A 69 69 VAL CA C 66 63.045 61.949 1.096 1
1 855 . 17 1 1 A 69 69 VAL CB C 66 32.669 32.963 -0.294 1
1 858 . 17 1 1 A 69 69 VAL N N 66 127.343 123.835 3.508 1
1 859 . 17 1 1 A 70 70 ILE H H 67 9.241 9.373 -0.132 1
1 860 . 17 1 1 A 70 70 ILE HA H 67 4.471 4.419 0.052 1
1 870 . 17 1 1 A 70 70 ILE C C 67 177.081 176.154 0.927 1
1 871 . 17 1 1 A 70 70 ILE CA C 67 59.716 61.054 -1.338 1
1 872 . 17 1 1 A 70 70 ILE CB C 67 37.169 36.959 0.210 1
1 876 . 17 1 1 A 70 70 ILE N N 67 129.254 127.726 1.528 1
1 877 . 17 1 1 A 71 71 ASP H H 68 9.374 8.814 0.560 1
1 878 . 17 1 1 A 71 71 ASP HA H 68 4.574 4.421 0.153 1
1 881 . 17 1 1 A 71 71 ASP C C 68 179.868 178.043 1.825 1
1 882 . 17 1 1 A 71 71 ASP CA C 68 58.797 57.938 0.859 1
1 883 . 17 1 1 A 71 71 ASP CB C 68 40.544 40.655 -0.111 1
1 884 . 17 1 1 A 71 71 ASP N N 68 129.133 128.957 0.176 1
1 885 . 17 1 1 A 72 72 GLU H H 69 9.631 8.225 1.406 1
1 886 . 17 1 1 A 72 72 GLU HA H 69 4.088 4.089 -0.001 1
1 891 . 17 1 1 A 72 72 GLU C C 69 176.865 177.829 -0.964 1
1 892 . 17 1 1 A 72 72 GLU CA C 69 59.670 59.430 0.240 1
1 893 . 17 1 1 A 72 72 GLU CB C 69 29.100 29.595 -0.495 1
1 895 . 17 1 1 A 72 72 GLU N N 69 118.880 118.763 0.117 1
1 896 . 17 1 1 A 73 73 LYS H H 70 6.582 7.708 -1.126 1
1 897 . 17 1 1 A 73 73 LYS HA H 70 4.474 4.392 0.082 1
1 906 . 17 1 1 A 73 73 LYS C C 70 173.964 175.940 -1.976 1
1 907 . 17 1 1 A 73 73 LYS CA C 70 54.604 55.846 -1.242 1
1 908 . 17 1 1 A 73 73 LYS CB C 70 34.075 32.716 1.359 1
1 912 . 17 1 1 A 73 73 LYS N N 70 114.014 117.196 -3.182 1
1 913 . 17 1 1 A 74 74 VAL H H 71 7.791 7.960 -0.169 1
1 914 . 17 1 1 A 74 74 VAL HA H 71 2.948 3.702 -0.754 1
1 922 . 17 1 1 A 74 74 VAL C C 71 173.381 175.064 -1.683 1
1 923 . 17 1 1 A 74 74 VAL CA C 71 63.045 63.274 -0.229 1
1 924 . 17 1 1 A 74 74 VAL CB C 71 29.013 30.117 -1.104 1
1 927 . 17 1 1 A 74 74 VAL N N 71 119.301 118.600 0.701 1
1 928 . 17 1 1 A 75 75 VAL H H 72 7.736 7.909 -0.173 1
1 929 . 17 1 1 A 75 75 VAL HA H 72 5.159 5.096 0.063 1
1 937 . 17 1 1 A 75 75 VAL C C 72 175.028 174.160 0.868 1
1 938 . 17 1 1 A 75 75 VAL CA C 72 59.839 60.305 -0.466 1
1 939 . 17 1 1 A 75 75 VAL CB C 72 37.732 35.483 2.249 1
1 942 . 17 1 1 A 75 75 VAL N N 72 116.865 120.906 -4.041 1
1 943 . 17 1 1 A 76 76 VAL H H 73 9.006 9.447 -0.441 1
1 944 . 17 1 1 A 76 76 VAL HA H 73 4.190 4.713 -0.523 1
1 952 . 17 1 1 A 76 76 VAL C C 73 172.177 174.387 -2.210 1
1 953 . 17 1 1 A 76 76 VAL CA C 73 62.473 60.898 1.575 1
1 954 . 17 1 1 A 76 76 VAL CB C 73 32.388 32.857 -0.469 1
1 957 . 17 1 1 A 76 76 VAL N N 73 128.675 128.309 0.366 1
1 958 . 17 1 1 A 77 77 PHE H H 74 9.468 9.509 -0.041 1
1 959 . 17 1 1 A 77 77 PHE HA H 74 5.019 5.239 -0.220 1
1 966 . 17 1 1 A 77 77 PHE C C 74 174.420 173.974 0.446 1
1 967 . 17 1 1 A 77 77 PHE CA C 74 54.378 55.331 -0.953 1
1 968 . 17 1 1 A 77 77 PHE CB C 74 42.230 40.889 1.341 1
1 969 . 17 1 1 A 77 77 PHE N N 74 130.014 128.544 1.470 1
1 970 . 17 1 1 A 78 78 VAL H H 75 8.990 8.905 0.085 1
1 971 . 17 1 1 A 78 78 VAL HA H 75 3.645 4.042 -0.397 1
1 979 . 17 1 1 A 78 78 VAL C C 75 174.813 175.403 -0.590 1
1 980 . 17 1 1 A 78 78 VAL CA C 75 64.452 63.257 1.195 1
1 981 . 17 1 1 A 78 78 VAL CB C 75 31.009 31.132 -0.123 1
1 984 . 17 1 1 A 78 78 VAL N N 75 128.474 127.338 1.136 1
1 985 . 17 1 1 A 79 79 ILE H H 76 8.679 8.987 -0.308 1
1 986 . 17 1 1 A 79 79 ILE HA H 76 4.171 4.188 -0.017 1
1 996 . 17 1 1 A 79 79 ILE C C 76 176.092 175.895 0.197 1
1 997 . 17 1 1 A 79 79 ILE CA C 76 61.635 62.493 -0.858 1
1 998 . 17 1 1 A 79 79 ILE CB C 76 39.982 38.501 1.481 1
1 1002 . 17 1 1 A 79 79 ILE N N 76 122.334 129.070 -6.736 1
1 1003 . 17 1 1 A 80 80 SER H H 77 7.614 7.680 -0.066 1
1 1004 . 17 1 1 A 80 80 SER HA H 77 4.724 4.998 -0.274 1
1 1007 . 17 1 1 A 80 80 SER C C 77 172.545 172.210 0.335 1
1 1008 . 17 1 1 A 80 80 SER CA C 77 57.849 57.850 -0.001 1
1 1009 . 17 1 1 A 80 80 SER CB C 77 64.733 67.059 -2.326 1
1 1010 . 17 1 1 A 80 80 SER N N 77 113.369 114.420 -1.051 1
1 1011 . 17 1 1 A 81 81 VAL H H 78 8.814 8.736 0.078 1
1 1012 . 17 1 1 A 81 81 VAL HA H 78 5.102 5.114 -0.012 1
1 1020 . 17 1 1 A 81 81 VAL C C 78 173.761 174.636 -0.875 1
1 1021 . 17 1 1 A 81 81 VAL CA C 78 61.004 59.760 1.244 1
1 1022 . 17 1 1 A 81 81 VAL CB C 78 34.638 35.854 -1.216 1
1 1025 . 17 1 1 A 81 81 VAL N N 78 123.792 121.809 1.983 1
1 1026 . 17 1 1 A 82 82 GLY H H 79 8.628 8.735 -0.107 1
1 1027 . 17 1 1 A 82 82 GLY HA2 H 79 4.365 4.325 0.040 1
1 1028 . 17 1 1 A 82 82 GLY HA3 H 79 4.214 4.449 -0.235 1
1 1029 . 17 1 1 A 82 82 GLY C C 79 171.201 172.428 -1.227 1
1 1030 . 17 1 1 A 82 82 GLY CA C 79 45.606 45.736 -0.130 1
1 1031 . 17 1 1 A 82 82 GLY N N 79 111.112 113.940 -2.828 1
1 1032 . 17 1 1 A 83 83 LYS H H 80 8.670 8.298 0.372 1
1 1033 . 17 1 1 A 83 83 LYS HA H 80 4.205 4.895 -0.690 1
1 1042 . 17 1 1 A 83 83 LYS C C 80 176.080 175.379 0.701 1
1 1043 . 17 1 1 A 83 83 LYS CA C 80 55.451 54.228 1.223 1
1 1044 . 17 1 1 A 83 83 LYS CB C 80 32.665 36.249 -3.584 1
1 1048 . 17 1 1 A 83 83 LYS N N 80 120.943 122.968 -2.025 1
1 1049 . 17 1 1 A 84 84 ALA H H 81 8.049 8.675 -0.626 1
1 1050 . 17 1 1 A 84 84 ALA HA H 81 4.182 4.450 -0.268 1
1 1054 . 17 1 1 A 84 84 ALA C C 81 176.941 176.128 0.813 1
1 1055 . 17 1 1 A 84 84 ALA CA C 81 52.248 51.295 0.953 1
1 1056 . 17 1 1 A 84 84 ALA CB C 81 19.450 17.898 1.552 1
1 1057 . 17 1 1 A 84 84 ALA N N 81 125.262 126.403 -1.141 1
1 1058 . 17 1 1 A 85 85 GLU H H 82 8.460 8.199 0.261 1
1 1059 . 17 1 1 A 85 85 GLU HA H 82 4.230 4.562 -0.332 1
1 1064 . 17 1 1 A 85 85 GLU C C 82 176.599 176.042 0.557 1
1 1065 . 17 1 1 A 85 85 GLU CA C 82 56.446 55.202 1.244 1
1 1066 . 17 1 1 A 85 85 GLU CB C 82 29.853 31.025 -1.172 1
1 1068 . 17 1 1 A 85 85 GLU N N 82 119.296 123.513 -4.217 1
1 1069 . 17 1 1 A 86 86 ALA H H 83 8.403 8.661 -0.258 1
1 1070 . 17 1 1 A 86 86 ALA HA H 83 4.149 3.910 0.239 1
1 1074 . 17 1 1 A 86 86 ALA C C 83 177.777 176.991 0.786 1
1 1075 . 17 1 1 A 86 86 ALA CA C 83 53.448 54.787 -1.339 1
1 1076 . 17 1 1 A 86 86 ALA CB C 83 18.887 17.932 0.955 1
1 1077 . 17 1 1 A 86 86 ALA N N 83 124.833 127.533 -2.700 1
1 1078 . 17 1 1 A 87 87 SER H H 84 8.301 7.990 0.311 1
1 1079 . 17 1 1 A 87 87 SER HA H 84 4.297 4.781 -0.484 1
1 1082 . 17 1 1 A 87 87 SER C C 84 175.370 174.998 0.372 1
1 1083 . 17 1 1 A 87 87 SER N N 84 113.395 113.230 0.165 1
1 1084 . 17 1 1 A 88 88 GLU H H 85 8.271 7.494 0.777 1
1 1085 . 17 1 1 A 88 88 GLU HA H 85 4.239 3.942 0.297 1
1 1090 . 17 1 1 A 88 88 GLU C C 85 177.081 178.581 -1.500 1
1 1091 . 17 1 1 A 88 88 GLU CA C 85 57.140 59.319 -2.179 1
1 1092 . 17 1 1 A 88 88 GLU CB C 85 29.856 29.768 0.088 1
1 1094 . 17 1 1 A 88 88 GLU N N 85 122.554 123.259 -0.705 1
1 1095 . 17 1 1 A 89 89 VAL H H 86 7.833 7.854 -0.021 1
1 1096 . 17 1 1 A 89 89 VAL HA H 86 3.895 3.713 0.182 1
1 1104 . 17 1 1 A 89 89 VAL C C 86 177.172 177.691 -0.519 1
1 1105 . 17 1 1 A 89 89 VAL CA C 86 63.045 65.601 -2.556 1
1 1106 . 17 1 1 A 89 89 VAL CB C 86 32.107 31.115 0.992 1
1 1109 . 17 1 1 A 89 89 VAL N N 86 119.916 119.016 0.900 1
1 1110 . 17 1 1 A 90 90 TYR H H 87 8.142 7.012 1.130 1
1 1111 . 17 1 1 A 90 90 TYR HA H 87 4.479 4.460 0.019 1
1 1118 . 17 1 1 A 90 90 TYR C C 87 176.637 178.321 -1.684 1
1 1119 . 17 1 1 A 90 90 TYR CA C 87 58.545 60.622 -2.077 1
1 1120 . 17 1 1 A 90 90 TYR CB C 87 37.732 38.976 -1.244 1
1 1121 . 17 1 1 A 90 90 TYR N N 87 122.303 121.809 0.494 1
1 1122 . 17 1 1 A 91 91 SER H H 88 8.090 8.735 -0.645 1
1 1123 . 17 1 1 A 91 91 SER HA H 88 4.335 4.338 -0.003 1
1 1126 . 17 1 1 A 91 91 SER C C 88 176.130 176.113 0.017 1
1 1127 . 17 1 1 A 91 91 SER CA C 88 59.899 61.739 -1.840 1
1 1128 . 17 1 1 A 91 91 SER CB C 88 62.483 62.972 -0.489 1
1 1129 . 17 1 1 A 91 91 SER N N 88 115.828 116.170 -0.342 1
1 1130 . 17 1 1 A 92 92 GLU H H 89 8.234 8.271 -0.037 1
1 1131 . 17 1 1 A 92 92 GLU HA H 89 4.213 4.019 0.194 1
1 1136 . 17 1 1 A 92 92 GLU C C 89 177.600 178.480 -0.880 1
1 1137 . 17 1 1 A 92 92 GLU CA C 89 57.701 59.528 -1.827 1
1 1138 . 17 1 1 A 92 92 GLU CB C 89 29.575 29.270 0.305 1
1 1140 . 17 1 1 A 92 92 GLU N N 89 121.225 122.100 -0.875 1
1 1141 . 17 1 1 A 93 93 ALA H H 90 7.960 7.226 0.734 1
1 1142 . 17 1 1 A 93 93 ALA HA H 90 4.025 4.134 -0.109 1
1 1146 . 17 1 1 A 93 93 ALA C C 90 178.550 179.488 -0.938 1
1 1147 . 17 1 1 A 93 93 ALA CA C 90 54.225 55.127 -0.902 1
1 1148 . 17 1 1 A 93 93 ALA CB C 90 18.325 18.451 -0.126 1
1 1149 . 17 1 1 A 93 93 ALA N N 90 122.055 121.952 0.103 1
1 1150 . 17 1 1 A 94 94 VAL H H 91 7.799 8.587 -0.788 1
1 1151 . 17 1 1 A 94 94 VAL HA H 91 3.818 3.850 -0.032 1
1 1159 . 17 1 1 A 94 94 VAL CA C 91 64.167 64.810 -0.643 1
1 1160 . 17 1 1 A 94 94 VAL CB C 91 31.825 31.361 0.464 1
1 1163 . 17 1 1 A 94 94 VAL N N 91 115.727 117.061 -1.334 1
1 1164 . 17 1 1 A 95 95 LYS H H 92 7.764 7.766 -0.002 1
1 1165 . 17 1 1 A 95 95 LYS HA H 92 4.197 4.245 -0.048 1
1 1174 . 17 1 1 A 95 95 LYS C C 92 177.600 178.679 -1.079 1
1 1175 . 17 1 1 A 95 95 LYS CA C 92 57.139 58.811 -1.672 1
1 1176 . 17 1 1 A 95 95 LYS CB C 92 32.600 32.451 0.149 1
1 1180 . 17 1 1 A 95 95 LYS N N 92 120.823 122.094 -1.271 1
1 1181 . 17 1 1 A 96 96 ARG H H 93 7.970 7.983 -0.013 1
1 1182 . 17 1 1 A 96 96 ARG HA H 93 4.341 4.150 0.191 1
1 1189 . 17 1 1 A 96 96 ARG C C 93 179.703 176.513 3.190 1
1 1190 . 17 1 1 A 96 96 ARG CA C 93 56.295 58.581 -2.286 1
1 1191 . 17 1 1 A 96 96 ARG CB C 93 31.400 30.428 0.972 1
1 1194 . 17 1 1 A 96 96 ARG N N 93 119.070 119.807 -0.737 1
1 1195 . 17 1 1 A 97 97 ILE H H 94 8.012 7.622 0.390 1
1 1196 . 17 1 1 A 97 97 ILE HA H 94 4.216 4.251 -0.035 1
1 1206 . 17 1 1 A 97 97 ILE C C 94 175.509 174.913 0.596 1
1 1207 . 17 1 1 A 97 97 ILE CA C 94 61.362 61.234 0.128 1
1 1208 . 17 1 1 A 97 97 ILE CB C 94 38.576 36.406 2.170 1
1 1212 . 17 1 1 A 97 97 ILE N N 94 120.512 119.174 1.338 1
1 16 . 18 1 1 A 5 5 ALA H H 2 8.084 8.754 -0.670 1
1 17 . 18 1 1 A 5 5 ALA HA H 2 4.423 5.778 -1.355 1
1 21 . 18 1 1 A 5 5 ALA C C 2 176.536 175.475 1.061 1
1 22 . 18 1 1 A 5 5 ALA CA C 2 51.634 50.122 1.512 1
1 23 . 18 1 1 A 5 5 ALA CB C 2 19.439 23.103 -3.664 1
1 24 . 18 1 1 A 5 5 ALA N N 2 125.284 127.360 -2.076 1
1 25 . 18 1 1 A 6 6 TYR H H 3 8.406 8.711 -0.305 1
1 26 . 18 1 1 A 6 6 TYR HA H 3 4.312 4.694 -0.382 1
1 33 . 18 1 1 A 6 6 TYR C C 3 175.433 175.318 0.115 1
1 34 . 18 1 1 A 6 6 TYR CA C 3 57.701 56.995 0.706 1
1 35 . 18 1 1 A 6 6 TYR CB C 3 39.701 41.177 -1.476 1
1 36 . 18 1 1 A 6 6 TYR N N 3 120.887 119.042 1.845 1
1 37 . 18 1 1 A 7 7 PHE H H 4 8.703 9.158 -0.455 1
1 38 . 18 1 1 A 7 7 PHE HA H 4 4.645 4.882 -0.237 1
1 45 . 18 1 1 A 7 7 PHE C C 4 173.812 174.782 -0.970 1
1 46 . 18 1 1 A 7 7 PHE CA C 4 56.853 57.538 -0.685 1
1 47 . 18 1 1 A 7 7 PHE CB C 4 40.541 40.619 -0.078 1
1 48 . 18 1 1 A 7 7 PHE N N 4 119.295 119.967 -0.672 1
1 49 . 18 1 1 A 8 8 LEU H H 5 8.255 8.699 -0.444 1
1 50 . 18 1 1 A 8 8 LEU HA H 5 4.985 5.225 -0.240 1
1 60 . 18 1 1 A 8 8 LEU C C 5 174.927 174.322 0.605 1
1 61 . 18 1 1 A 8 8 LEU CA C 5 53.544 53.414 0.130 1
1 62 . 18 1 1 A 8 8 LEU CB C 5 44.201 46.069 -1.868 1
1 66 . 18 1 1 A 8 8 LEU N N 5 124.516 122.916 1.600 1
1 67 . 18 1 1 A 9 9 ASP H H 6 9.047 8.483 0.564 1
1 68 . 18 1 1 A 9 9 ASP HA H 6 5.089 5.314 -0.225 1
1 71 . 18 1 1 A 9 9 ASP C C 6 173.216 174.485 -1.269 1
1 72 . 18 1 1 A 9 9 ASP CA C 6 52.278 52.765 -0.487 1
1 73 . 18 1 1 A 9 9 ASP CB C 6 45.326 44.962 0.364 1
1 74 . 18 1 1 A 9 9 ASP N N 6 126.171 124.204 1.967 1
1 75 . 18 1 1 A 10 10 PHE H H 7 8.891 8.936 -0.045 1
1 76 . 18 1 1 A 10 10 PHE HA H 7 4.545 5.109 -0.564 1
1 83 . 18 1 1 A 10 10 PHE C C 7 175.218 175.437 -0.219 1
1 84 . 18 1 1 A 10 10 PHE CA C 7 56.243 56.736 -0.493 1
1 85 . 18 1 1 A 10 10 PHE CB C 7 43.638 42.185 1.453 1
1 86 . 18 1 1 A 10 10 PHE N N 7 119.178 120.587 -1.409 1
1 87 . 18 1 1 A 11 11 ASP H H 8 8.124 9.248 -1.124 1
1 88 . 18 1 1 A 11 11 ASP HA H 8 4.551 4.721 -0.170 1
1 91 . 18 1 1 A 11 11 ASP C C 8 177.157 177.627 -0.470 1
1 92 . 18 1 1 A 11 11 ASP CA C 8 54.315 54.262 0.053 1
1 93 . 18 1 1 A 11 11 ASP CB C 8 44.201 41.638 2.563 1
1 94 . 18 1 1 A 11 11 ASP N N 8 123.305 124.207 -0.902 1
1 95 . 18 1 1 A 12 12 GLU H H 9 9.197 8.973 0.224 1
1 96 . 18 1 1 A 12 12 GLU HA H 9 4.016 4.119 -0.103 1
1 101 . 18 1 1 A 12 12 GLU C C 9 178.880 178.641 0.239 1
1 102 . 18 1 1 A 12 12 GLU CA C 9 60.365 59.393 0.972 1
1 103 . 18 1 1 A 12 12 GLU CB C 9 29.670 29.227 0.443 1
1 105 . 18 1 1 A 12 12 GLU N N 9 127.082 121.715 5.367 1
1 106 . 18 1 1 A 13 13 ARG H H 10 8.949 8.130 0.819 1
1 107 . 18 1 1 A 13 13 ARG HA H 10 4.097 4.073 0.024 1
1 114 . 18 1 1 A 13 13 ARG C C 10 179.273 179.228 0.045 1
1 115 . 18 1 1 A 13 13 ARG CA C 10 58.924 59.019 -0.095 1
1 116 . 18 1 1 A 13 13 ARG CB C 10 30.138 30.265 -0.127 1
1 119 . 18 1 1 A 13 13 ARG N N 10 119.265 119.693 -0.428 1
1 120 . 18 1 1 A 14 14 ALA H H 11 7.451 7.933 -0.482 1
1 121 . 18 1 1 A 14 14 ALA HA H 11 4.685 4.193 0.492 1
1 125 . 18 1 1 A 14 14 ALA C C 11 179.564 180.353 -0.789 1
1 126 . 18 1 1 A 14 14 ALA CA C 11 53.705 55.081 -1.376 1
1 127 . 18 1 1 A 14 14 ALA CB C 11 18.325 18.640 -0.315 1
1 128 . 18 1 1 A 14 14 ALA N N 11 122.421 121.658 0.763 1
1 129 . 18 1 1 A 15 15 LEU H H 12 8.683 8.451 0.232 1
1 130 . 18 1 1 A 15 15 LEU HA H 12 3.877 3.958 -0.081 1
1 140 . 18 1 1 A 15 15 LEU C C 12 178.550 179.750 -1.200 1
1 141 . 18 1 1 A 15 15 LEU CA C 12 57.139 57.571 -0.432 1
1 142 . 18 1 1 A 15 15 LEU CB C 12 41.103 41.331 -0.228 1
1 146 . 18 1 1 A 15 15 LEU N N 12 120.118 119.476 0.642 1
1 147 . 18 1 1 A 16 16 LYS H H 13 7.345 8.055 -0.710 1
1 148 . 18 1 1 A 16 16 LYS HA H 13 3.995 3.971 0.024 1
1 157 . 18 1 1 A 16 16 LYS C C 13 179.678 179.884 -0.206 1
1 158 . 18 1 1 A 16 16 LYS CA C 13 59.700 60.451 -0.751 1
1 159 . 18 1 1 A 16 16 LYS CB C 13 32.388 32.053 0.335 1
1 163 . 18 1 1 A 16 16 LYS N N 13 117.725 118.516 -0.791 1
1 164 . 18 1 1 A 17 17 GLU H H 14 7.453 7.808 -0.355 1
1 165 . 18 1 1 A 17 17 GLU HA H 14 4.016 4.119 -0.103 1
1 170 . 18 1 1 A 17 17 GLU C C 14 179.589 179.103 0.486 1
1 171 . 18 1 1 A 17 17 GLU CA C 14 58.841 59.114 -0.273 1
1 172 . 18 1 1 A 17 17 GLU CB C 14 29.298 29.540 -0.242 1
1 174 . 18 1 1 A 17 17 GLU N N 14 118.019 119.545 -1.526 1
1 175 . 18 1 1 A 18 18 TRP H H 15 9.081 8.694 0.387 1
1 176 . 18 1 1 A 18 18 TRP HA H 15 4.174 4.202 -0.028 1
1 183 . 18 1 1 A 18 18 TRP C C 15 178.360 178.446 -0.086 1
1 184 . 18 1 1 A 18 18 TRP CA C 15 59.938 60.747 -0.809 1
1 185 . 18 1 1 A 18 18 TRP CB C 15 30.241 29.590 0.651 1
1 186 . 18 1 1 A 18 18 TRP N N 15 122.628 122.027 0.601 1
1 188 . 18 1 1 A 19 19 ARG H H 16 8.197 8.273 -0.076 1
1 189 . 18 1 1 A 19 19 ARG HA H 16 3.863 4.146 -0.283 1
1 196 . 18 1 1 A 19 19 ARG C C 16 177.030 179.031 -2.001 1
1 197 . 18 1 1 A 19 19 ARG CA C 16 58.516 58.838 -0.322 1
1 198 . 18 1 1 A 19 19 ARG CB C 16 30.300 29.753 0.547 1
1 201 . 18 1 1 A 19 19 ARG N N 16 115.582 118.432 -2.850 1
1 202 . 18 1 1 A 20 20 LYS H H 17 7.308 7.714 -0.406 1
1 203 . 18 1 1 A 20 20 LYS HA H 17 4.238 4.117 0.121 1
1 212 . 18 1 1 A 20 20 LYS C C 17 177.043 177.138 -0.095 1
1 213 . 18 1 1 A 20 20 LYS CA C 17 56.270 58.986 -2.716 1
1 214 . 18 1 1 A 20 20 LYS CB C 17 32.300 32.254 0.046 1
1 218 . 18 1 1 A 20 20 LYS N N 17 116.689 119.608 -2.919 1
1 219 . 18 1 1 A 21 21 LEU H H 18 6.998 7.917 -0.919 1
1 220 . 18 1 1 A 21 21 LEU HA H 18 4.026 4.117 -0.091 1
1 230 . 18 1 1 A 21 21 LEU C C 18 177.676 177.406 0.270 1
1 231 . 18 1 1 A 21 21 LEU CA C 18 54.567 55.147 -0.580 1
1 232 . 18 1 1 A 21 21 LEU CB C 18 43.357 42.210 1.147 1
1 236 . 18 1 1 A 21 21 LEU N N 18 118.778 121.018 -2.240 1
1 237 . 18 1 1 A 22 22 GLY H H 19 8.370 8.335 0.035 1
1 238 . 18 1 1 A 22 22 GLY HA2 H 19 4.064 3.954 0.110 1
1 239 . 18 1 1 A 22 22 GLY HA3 H 19 3.845 3.964 -0.119 1
1 240 . 18 1 1 A 22 22 GLY C C 19 174.813 174.711 0.102 1
1 241 . 18 1 1 A 22 22 GLY CA C 19 45.045 45.177 -0.132 1
1 242 . 18 1 1 A 22 22 GLY N N 19 107.490 109.663 -2.173 1
1 243 . 18 1 1 A 23 23 SER H H 20 8.675 8.836 -0.161 1
1 244 . 18 1 1 A 23 23 SER HA H 20 4.288 3.918 0.370 1
1 247 . 18 1 1 A 23 23 SER CA C 20 58.981 62.523 -3.542 1
1 248 . 18 1 1 A 23 23 SER CB C 20 63.045 62.656 0.389 1
1 249 . 18 1 1 A 23 23 SER N N 20 117.877 117.613 0.264 1
1 250 . 18 1 1 A 24 24 THR H H 21 8.216 7.886 0.330 1
1 251 . 18 1 1 A 24 24 THR HA H 21 3.983 4.048 -0.065 1
1 256 . 18 1 1 A 24 24 THR C C 21 176.510 176.655 -0.145 1
1 257 . 18 1 1 A 24 24 THR CA C 21 65.858 66.558 -0.700 1
1 258 . 18 1 1 A 24 24 THR CB C 21 67.941 67.757 0.184 1
1 260 . 18 1 1 A 24 24 THR N N 21 115.680 117.287 -1.607 1
1 261 . 18 1 1 A 25 25 VAL H H 22 7.143 7.972 -0.829 1
1 262 . 18 1 1 A 25 25 VAL HA H 22 3.545 3.391 0.154 1
1 270 . 18 1 1 A 25 25 VAL C C 22 177.613 177.580 0.033 1
1 271 . 18 1 1 A 25 25 VAL CA C 22 65.577 66.678 -1.101 1
1 272 . 18 1 1 A 25 25 VAL CB C 22 31.544 31.104 0.440 1
1 275 . 18 1 1 A 25 25 VAL N N 22 122.443 121.777 0.666 1
1 276 . 18 1 1 A 26 26 ARG H H 23 7.840 8.067 -0.227 1
1 277 . 18 1 1 A 26 26 ARG HA H 23 3.156 3.584 -0.428 1
1 284 . 18 1 1 A 26 26 ARG C C 23 177.790 178.247 -0.457 1
1 285 . 18 1 1 A 26 26 ARG CA C 23 59.951 58.360 1.591 1
1 286 . 18 1 1 A 26 26 ARG CB C 23 29.590 28.770 0.820 1
1 289 . 18 1 1 A 26 26 ARG N N 23 119.146 119.722 -0.576 1
1 290 . 18 1 1 A 27 27 GLU H H 24 8.159 8.537 -0.378 1
1 291 . 18 1 1 A 27 27 GLU HA H 24 3.970 4.078 -0.108 1
1 296 . 18 1 1 A 27 27 GLU C C 24 179.577 179.707 -0.130 1
1 297 . 18 1 1 A 27 27 GLU CA C 24 59.400 59.196 0.204 1
1 298 . 18 1 1 A 27 27 GLU CB C 24 29.013 29.338 -0.325 1
1 300 . 18 1 1 A 27 27 GLU N N 24 116.672 118.431 -1.759 1
1 301 . 18 1 1 A 28 28 GLN H H 25 7.693 7.528 0.165 1
1 302 . 18 1 1 A 28 28 GLN HA H 25 4.094 4.062 0.032 1
1 309 . 18 1 1 A 28 28 GLN C C 25 179.919 179.281 0.638 1
1 310 . 18 1 1 A 28 28 GLN CA C 25 59.108 58.576 0.532 1
1 311 . 18 1 1 A 28 28 GLN CB C 25 29.575 28.249 1.326 1
1 313 . 18 1 1 A 28 28 GLN N N 25 118.482 119.010 -0.528 1
1 315 . 18 1 1 A 29 29 LEU H H 26 8.441 8.084 0.357 1
1 316 . 18 1 1 A 29 29 LEU HA H 26 4.096 4.162 -0.066 1
1 326 . 18 1 1 A 29 29 LEU C C 26 178.804 179.389 -0.585 1
1 327 . 18 1 1 A 29 29 LEU CA C 26 57.983 58.034 -0.051 1
1 328 . 18 1 1 A 29 29 LEU CB C 26 42.513 41.592 0.921 1
1 332 . 18 1 1 A 29 29 LEU N N 26 119.907 120.021 -0.114 1
1 333 . 18 1 1 A 30 30 LYS H H 27 9.233 8.871 0.362 1
1 334 . 18 1 1 A 30 30 LYS HA H 27 4.076 4.213 -0.137 1
1 343 . 18 1 1 A 30 30 LYS C C 27 178.056 178.671 -0.615 1
1 344 . 18 1 1 A 30 30 LYS CA C 27 60.233 59.917 0.316 1
1 345 . 18 1 1 A 30 30 LYS CB C 27 32.103 32.537 -0.434 1
1 349 . 18 1 1 A 30 30 LYS N N 27 120.508 120.548 -0.040 1
1 350 . 18 1 1 A 31 31 LYS H H 28 7.698 7.734 -0.036 1
1 351 . 18 1 1 A 31 31 LYS HA H 28 4.056 4.130 -0.074 1
1 360 . 18 1 1 A 31 31 LYS C C 28 179.539 179.618 -0.079 1
1 361 . 18 1 1 A 31 31 LYS CA C 28 59.596 59.812 -0.216 1
1 362 . 18 1 1 A 31 31 LYS CB C 28 32.400 32.106 0.294 1
1 366 . 18 1 1 A 31 31 LYS N N 28 117.412 117.892 -0.480 1
1 367 . 18 1 1 A 32 32 LYS H H 29 7.347 7.564 -0.217 1
1 368 . 18 1 1 A 32 32 LYS HA H 29 4.230 4.031 0.199 1
1 377 . 18 1 1 A 32 32 LYS C C 29 179.057 179.574 -0.517 1
1 378 . 18 1 1 A 32 32 LYS CA C 29 57.553 59.544 -1.991 1
1 379 . 18 1 1 A 32 32 LYS CB C 29 32.103 32.484 -0.381 1
1 383 . 18 1 1 A 32 32 LYS N N 29 116.983 120.020 -3.037 1
1 384 . 18 1 1 A 33 33 LEU H H 30 8.663 8.119 0.544 1
1 385 . 18 1 1 A 33 33 LEU HA H 30 3.844 3.997 -0.153 1
1 395 . 18 1 1 A 33 33 LEU C C 30 177.765 178.828 -1.063 1
1 396 . 18 1 1 A 33 33 LEU CA C 30 57.420 57.894 -0.474 1
1 397 . 18 1 1 A 33 33 LEU CB C 30 42.513 41.762 0.751 1
1 401 . 18 1 1 A 33 33 LEU N N 30 121.134 120.116 1.018 1
1 402 . 18 1 1 A 34 34 VAL H H 31 8.185 8.359 -0.174 1
1 403 . 18 1 1 A 34 34 VAL HA H 31 3.548 3.500 0.048 1
1 411 . 18 1 1 A 34 34 VAL C C 31 178.639 177.786 0.853 1
1 412 . 18 1 1 A 34 34 VAL CA C 31 66.702 66.826 -0.124 1
1 413 . 18 1 1 A 34 34 VAL CB C 31 31.544 31.287 0.257 1
1 416 . 18 1 1 A 34 34 VAL N N 31 117.076 119.279 -2.203 1
1 417 . 18 1 1 A 35 35 GLU H H 32 7.143 8.531 -1.388 1
1 418 . 18 1 1 A 35 35 GLU HA H 32 4.093 4.066 0.027 1
1 423 . 18 1 1 A 35 35 GLU C C 32 179.450 178.823 0.627 1
1 424 . 18 1 1 A 35 35 GLU CA C 32 58.264 59.083 -0.819 1
1 425 . 18 1 1 A 35 35 GLU CB C 32 29.575 29.212 0.363 1
1 427 . 18 1 1 A 35 35 GLU N N 32 117.290 119.399 -2.109 1
1 428 . 18 1 1 A 36 36 VAL H H 33 7.659 8.372 -0.713 1
1 429 . 18 1 1 A 36 36 VAL HA H 33 3.774 3.794 -0.020 1
1 437 . 18 1 1 A 36 36 VAL C C 33 176.929 177.613 -0.684 1
1 438 . 18 1 1 A 36 36 VAL CA C 33 63.889 65.308 -1.419 1
1 439 . 18 1 1 A 36 36 VAL CB C 33 31.825 31.105 0.720 1
1 442 . 18 1 1 A 36 36 VAL N N 33 118.056 119.996 -1.940 1
1 443 . 18 1 1 A 37 37 LEU H H 34 7.679 7.870 -0.191 1
1 444 . 18 1 1 A 37 37 LEU HA H 34 3.619 3.853 -0.234 1
1 454 . 18 1 1 A 37 37 LEU C C 34 177.968 179.614 -1.646 1
1 455 . 18 1 1 A 37 37 LEU CA C 34 57.420 57.167 0.253 1
1 456 . 18 1 1 A 37 37 LEU CB C 34 40.263 41.334 -1.071 1
1 460 . 18 1 1 A 37 37 LEU N N 34 116.847 121.347 -4.500 1
1 461 . 18 1 1 A 38 38 GLU H H 35 7.238 8.640 -1.402 1
1 462 . 18 1 1 A 38 38 GLU HA H 35 4.295 4.317 -0.022 1
1 467 . 18 1 1 A 38 38 GLU C C 35 177.853 176.773 1.080 1
1 468 . 18 1 1 A 38 38 GLU CA C 35 57.900 58.367 -0.467 1
1 469 . 18 1 1 A 38 38 GLU CB C 35 30.138 28.606 1.532 1
1 471 . 18 1 1 A 38 38 GLU N N 35 113.881 117.075 -3.194 1
1 472 . 18 1 1 A 39 39 SER H H 36 7.101 8.006 -0.905 1
1 473 . 18 1 1 A 39 39 SER HA H 36 4.518 4.938 -0.420 1
1 476 . 18 1 1 A 39 39 SER CA C 36 55.553 55.478 0.075 1
1 477 . 18 1 1 A 39 39 SER CB C 36 61.920 63.207 -1.287 1
1 478 . 18 1 1 A 39 39 SER N N 36 109.128 115.965 -6.837 1
1 479 . 18 1 1 A 40 40 PRO HA H 37 4.363 4.284 0.079 1
1 486 . 18 1 1 A 40 40 PRO C C 37 177.879 177.054 0.825 1
1 487 . 18 1 1 A 40 40 PRO CA C 37 64.705 63.825 0.880 1
1 488 . 18 1 1 A 40 40 PRO CB C 37 32.669 31.332 1.337 1
1 491 . 18 1 1 A 41 41 ARG H H 38 8.299 8.234 0.065 1
1 492 . 18 1 1 A 41 41 ARG HA H 38 3.183 3.661 -0.478 1
1 499 . 18 1 1 A 41 41 ARG C C 38 174.217 175.407 -1.190 1
1 500 . 18 1 1 A 41 41 ARG CA C 38 56.014 55.633 0.381 1
1 501 . 18 1 1 A 41 41 ARG CB C 38 29.571 29.690 -0.119 1
1 504 . 18 1 1 A 41 41 ARG N N 38 121.121 115.564 5.557 1
1 505 . 18 1 1 A 42 42 ILE H H 39 5.995 6.824 -0.829 1
1 506 . 18 1 1 A 42 42 ILE HA H 39 4.177 4.268 -0.091 1
1 516 . 18 1 1 A 42 42 ILE C C 39 176.295 177.247 -0.952 1
1 517 . 18 1 1 A 42 42 ILE CA C 39 59.389 61.469 -2.080 1
1 518 . 18 1 1 A 42 42 ILE CB C 39 39.138 36.603 2.535 1
1 522 . 18 1 1 A 42 42 ILE N N 39 128.247 122.046 6.201 1
1 523 . 18 1 1 A 43 43 GLU H H 40 8.893 8.569 0.324 1
1 524 . 18 1 1 A 43 43 GLU HA H 40 4.174 4.280 -0.106 1
1 529 . 18 1 1 A 43 43 GLU C C 40 178.918 178.315 0.603 1
1 530 . 18 1 1 A 43 43 GLU CA C 40 60.336 58.974 1.362 1
1 531 . 18 1 1 A 43 43 GLU CB C 40 29.100 29.203 -0.103 1
1 533 . 18 1 1 A 43 43 GLU N N 40 130.055 127.167 2.888 1
1 534 . 18 1 1 A 44 44 ALA H H 41 8.851 7.825 1.026 1
1 535 . 18 1 1 A 44 44 ALA HA H 41 4.222 4.127 0.095 1
1 539 . 18 1 1 A 44 44 ALA C C 41 178.069 178.442 -0.373 1
1 540 . 18 1 1 A 44 44 ALA CA C 41 54.148 54.231 -0.083 1
1 541 . 18 1 1 A 44 44 ALA CB C 41 18.606 18.361 0.245 1
1 542 . 18 1 1 A 44 44 ALA N N 41 119.773 123.127 -3.354 1
1 543 . 18 1 1 A 45 45 ASN H H 42 8.176 8.264 -0.088 1
1 544 . 18 1 1 A 45 45 ASN HA H 42 5.046 4.826 0.220 1
1 549 . 18 1 1 A 45 45 ASN C C 42 174.521 175.273 -0.752 1
1 550 . 18 1 1 A 45 45 ASN CA C 42 51.495 53.397 -1.902 1
1 551 . 18 1 1 A 45 45 ASN CB C 42 38.853 39.329 -0.476 1
1 552 . 18 1 1 A 45 45 ASN N N 42 114.425 114.382 0.043 1
1 554 . 18 1 1 A 46 46 LYS H H 43 7.524 7.517 0.007 1
1 555 . 18 1 1 A 46 46 LYS HA H 43 3.769 4.133 -0.364 1
1 564 . 18 1 1 A 46 46 LYS C C 43 176.143 176.532 -0.389 1
1 565 . 18 1 1 A 46 46 LYS CA C 43 56.858 56.265 0.593 1
1 566 . 18 1 1 A 46 46 LYS CB C 43 33.232 32.737 0.495 1
1 570 . 18 1 1 A 46 46 LYS N N 43 122.393 122.335 0.058 1
1 571 . 18 1 1 A 47 47 LEU H H 44 7.982 8.279 -0.297 1
1 572 . 18 1 1 A 47 47 LEU HA H 44 4.374 4.440 -0.066 1
1 582 . 18 1 1 A 47 47 LEU C C 44 176.143 176.440 -0.297 1
1 583 . 18 1 1 A 47 47 LEU CA C 44 53.746 54.472 -0.726 1
1 584 . 18 1 1 A 47 47 LEU CB C 44 41.951 42.235 -0.284 1
1 588 . 18 1 1 A 47 47 LEU N N 44 127.624 125.160 2.464 1
1 589 . 18 1 1 A 48 48 ARG H H 45 8.549 8.758 -0.209 1
1 590 . 18 1 1 A 48 48 ARG HA H 45 4.346 4.715 -0.369 1
1 597 . 18 1 1 A 48 48 ARG CA C 45 55.800 54.820 0.980 1
1 598 . 18 1 1 A 48 48 ARG CB C 45 31.263 32.129 -0.866 1
1 601 . 18 1 1 A 48 48 ARG N N 45 125.873 121.484 4.389 1
1 602 . 18 1 1 A 49 49 GLY H H 46 8.800 8.720 0.080 1
1 603 . 18 1 1 A 49 49 GLY HA2 H 46 3.760 3.889 -0.129 1
1 604 . 18 1 1 A 49 49 GLY HA3 H 46 4.070 3.892 0.178 1
1 605 . 18 1 1 A 49 49 GLY C C 46 173.482 173.734 -0.252 1
1 606 . 18 1 1 A 49 49 GLY CA C 46 45.326 46.250 -0.924 1
1 607 . 18 1 1 A 49 49 GLY N N 46 111.980 114.065 -2.085 1
1 608 . 18 1 1 A 50 50 MET H H 47 7.272 8.003 -0.731 1
1 609 . 18 1 1 A 50 50 MET HA H 47 4.921 4.869 0.052 1
1 617 . 18 1 1 A 50 50 MET CA C 47 52.049 52.890 -0.841 1
1 618 . 18 1 1 A 50 50 MET CB C 47 33.794 35.211 -1.417 1
1 621 . 18 1 1 A 50 50 MET N N 47 119.077 119.779 -0.702 1
1 622 . 18 1 1 A 51 51 PRO HA H 48 4.294 4.415 -0.121 1
1 629 . 18 1 1 A 51 51 PRO C C 48 176.460 176.308 0.152 1
1 630 . 18 1 1 A 51 51 PRO CA C 48 63.879 65.319 -1.440 1
1 631 . 18 1 1 A 51 51 PRO CB C 48 31.825 31.792 0.033 1
1 634 . 18 1 1 A 52 52 ASP H H 49 8.661 7.847 0.814 1
1 635 . 18 1 1 A 52 52 ASP HA H 49 4.487 4.815 -0.328 1
1 638 . 18 1 1 A 52 52 ASP C C 49 174.065 174.234 -0.169 1
1 639 . 18 1 1 A 52 52 ASP CA C 49 56.042 53.396 2.646 1
1 640 . 18 1 1 A 52 52 ASP CB C 49 41.107 41.065 0.042 1
1 641 . 18 1 1 A 52 52 ASP N N 49 116.477 116.086 0.391 1
1 642 . 18 1 1 A 53 53 CYS H H 50 7.575 8.375 -0.800 1
1 643 . 18 1 1 A 53 53 CYS HA H 50 5.835 5.497 0.338 1
1 646 . 18 1 1 A 53 53 CYS C C 50 173.444 172.401 1.043 1
1 647 . 18 1 1 A 53 53 CYS CA C 50 58.110 57.770 0.340 1
1 648 . 18 1 1 A 53 53 CYS CB C 50 30.700 32.139 -1.439 1
1 649 . 18 1 1 A 53 53 CYS N N 50 114.414 123.817 -9.403 1
1 650 . 18 1 1 A 54 54 TYR H H 51 8.806 9.053 -0.247 1
1 651 . 18 1 1 A 54 54 TYR HA H 51 4.737 5.384 -0.647 1
1 658 . 18 1 1 A 54 54 TYR C C 51 172.950 174.073 -1.123 1
1 659 . 18 1 1 A 54 54 TYR CA C 51 56.066 56.180 -0.114 1
1 660 . 18 1 1 A 54 54 TYR CB C 51 42.794 43.062 -0.268 1
1 661 . 18 1 1 A 54 54 TYR N N 51 120.858 120.794 0.064 1
1 662 . 18 1 1 A 55 55 LYS H H 52 8.425 9.046 -0.621 1
1 663 . 18 1 1 A 55 55 LYS HA H 52 5.687 5.336 0.351 1
1 672 . 18 1 1 A 55 55 LYS C C 52 176.498 174.759 1.739 1
1 673 . 18 1 1 A 55 55 LYS CA C 52 53.291 54.245 -0.954 1
1 674 . 18 1 1 A 55 55 LYS CB C 52 36.325 36.012 0.313 1
1 678 . 18 1 1 A 55 55 LYS N N 52 115.794 118.419 -2.625 1
1 679 . 18 1 1 A 56 56 ILE H H 53 9.187 9.012 0.175 1
1 680 . 18 1 1 A 56 56 ILE HA H 53 4.416 4.779 -0.363 1
1 690 . 18 1 1 A 56 56 ILE C C 53 174.572 175.398 -0.826 1
1 691 . 18 1 1 A 56 56 ILE CA C 53 60.971 60.020 0.951 1
1 692 . 18 1 1 A 56 56 ILE CB C 53 41.388 39.806 1.582 1
1 696 . 18 1 1 A 56 56 ILE N N 53 120.315 123.843 -3.528 1
1 697 . 18 1 1 A 57 57 LYS H H 54 8.755 8.915 -0.160 1
1 698 . 18 1 1 A 57 57 LYS HA H 54 5.043 5.102 -0.059 1
1 707 . 18 1 1 A 57 57 LYS C C 54 175.193 175.314 -0.121 1
1 708 . 18 1 1 A 57 57 LYS CA C 54 54.359 55.188 -0.829 1
1 709 . 18 1 1 A 57 57 LYS CB C 54 35.482 34.418 1.064 1
1 713 . 18 1 1 A 57 57 LYS N N 54 125.616 125.131 0.485 1
1 714 . 18 1 1 A 58 58 LEU H H 55 8.449 9.340 -0.891 1
1 715 . 18 1 1 A 58 58 LEU HA H 55 4.796 4.632 0.164 1
1 725 . 18 1 1 A 58 58 LEU CA C 55 53.201 54.902 -1.701 1
1 726 . 18 1 1 A 58 58 LEU CB C 55 41.669 43.849 -2.180 1
1 730 . 18 1 1 A 58 58 LEU N N 55 124.214 125.420 -1.206 1
1 731 . 18 1 1 A 59 59 ARG HA H 56 4.008 4.286 -0.278 1
1 738 . 18 1 1 A 59 59 ARG CA C 56 57.420 57.838 -0.418 1
1 739 . 18 1 1 A 59 59 ARG CB C 56 29.575 30.901 -1.326 1
1 742 . 18 1 1 A 60 60 SER HA H 57 4.246 4.623 -0.377 1
1 745 . 18 1 1 A 60 60 SER CA C 57 59.798 58.626 1.172 1
1 746 . 18 1 1 A 60 60 SER CB C 57 63.045 64.010 -0.965 1
1 747 . 18 1 1 A 61 61 SER HA H 58 4.616 4.955 -0.339 1
1 750 . 18 1 1 A 61 61 SER C C 58 175.155 173.163 1.992 1
1 751 . 18 1 1 A 61 61 SER CA C 58 58.010 58.127 -0.117 1
1 752 . 18 1 1 A 61 61 SER CB C 58 64.452 66.748 -2.296 1
1 753 . 18 1 1 A 62 62 GLY H H 59 8.217 9.080 -0.863 1
1 754 . 18 1 1 A 62 62 GLY HA2 H 59 3.926 3.783 0.143 1
1 755 . 18 1 1 A 62 62 GLY HA3 H 59 4.010 3.861 0.149 1
1 756 . 18 1 1 A 62 62 GLY C C 59 174.407 173.215 1.192 1
1 757 . 18 1 1 A 62 62 GLY CA C 59 45.888 47.148 -1.260 1
1 758 . 18 1 1 A 62 62 GLY N N 59 109.272 112.734 -3.462 1
1 759 . 18 1 1 A 63 63 TYR H H 60 7.463 8.619 -1.156 1
1 760 . 18 1 1 A 63 63 TYR HA H 60 4.629 5.275 -0.646 1
1 767 . 18 1 1 A 63 63 TYR C C 60 175.117 174.600 0.517 1
1 768 . 18 1 1 A 63 63 TYR CA C 60 59.857 56.607 3.250 1
1 769 . 18 1 1 A 63 63 TYR CB C 60 41.388 43.524 -2.136 1
1 770 . 18 1 1 A 63 63 TYR N N 60 117.638 122.309 -4.671 1
1 771 . 18 1 1 A 64 64 ARG H H 61 9.261 9.449 -0.188 1
1 772 . 18 1 1 A 64 64 ARG HA H 61 5.458 5.589 -0.131 1
1 779 . 18 1 1 A 64 64 ARG C C 61 173.596 174.012 -0.416 1
1 780 . 18 1 1 A 64 64 ARG CA C 61 53.880 54.481 -0.601 1
1 781 . 18 1 1 A 64 64 ARG CB C 61 34.357 33.960 0.397 1
1 784 . 18 1 1 A 64 64 ARG N N 61 119.605 119.451 0.154 1
1 785 . 18 1 1 A 65 65 LEU H H 62 9.085 9.438 -0.353 1
1 786 . 18 1 1 A 65 65 LEU HA H 62 5.432 5.359 0.073 1
1 796 . 18 1 1 A 65 65 LEU C C 62 174.534 174.424 0.110 1
1 797 . 18 1 1 A 65 65 LEU CA C 62 53.795 53.517 0.278 1
1 798 . 18 1 1 A 65 65 LEU CB C 62 46.732 45.561 1.171 1
1 802 . 18 1 1 A 65 65 LEU N N 62 125.189 123.151 2.038 1
1 803 . 18 1 1 A 66 66 VAL H H 63 9.058 9.021 0.037 1
1 804 . 18 1 1 A 66 66 VAL HA H 63 4.991 4.887 0.104 1
1 812 . 18 1 1 A 66 66 VAL C C 63 174.699 175.233 -0.534 1
1 813 . 18 1 1 A 66 66 VAL CA C 63 60.795 60.718 0.077 1
1 814 . 18 1 1 A 66 66 VAL CB C 63 34.075 32.931 1.144 1
1 817 . 18 1 1 A 66 66 VAL N N 63 125.140 125.799 -0.659 1
1 818 . 18 1 1 A 67 67 TYR H H 64 9.091 8.882 0.209 1
1 819 . 18 1 1 A 67 67 TYR HA H 64 5.659 5.545 0.114 1
1 826 . 18 1 1 A 67 67 TYR C C 64 170.910 172.991 -2.081 1
1 827 . 18 1 1 A 67 67 TYR CA C 64 54.286 55.121 -0.835 1
1 828 . 18 1 1 A 67 67 TYR CB C 64 41.951 42.156 -0.205 1
1 829 . 18 1 1 A 67 67 TYR N N 64 124.150 124.030 0.120 1
1 830 . 18 1 1 A 68 68 GLN H H 65 9.814 9.348 0.466 1
1 831 . 18 1 1 A 68 68 GLN HA H 65 5.510 5.527 -0.017 1
1 838 . 18 1 1 A 68 68 GLN C C 65 175.725 174.675 1.050 1
1 839 . 18 1 1 A 68 68 GLN CA C 65 53.092 54.372 -1.280 1
1 840 . 18 1 1 A 68 68 GLN CB C 65 32.600 31.889 0.711 1
1 842 . 18 1 1 A 68 68 GLN N N 65 123.050 119.051 3.999 1
1 844 . 18 1 1 A 69 69 VAL H H 66 9.198 8.930 0.268 1
1 845 . 18 1 1 A 69 69 VAL HA H 66 4.369 4.556 -0.187 1
1 853 . 18 1 1 A 69 69 VAL C C 66 175.357 175.056 0.301 1
1 854 . 18 1 1 A 69 69 VAL CA C 66 63.045 61.973 1.072 1
1 855 . 18 1 1 A 69 69 VAL CB C 66 32.669 32.855 -0.186 1
1 858 . 18 1 1 A 69 69 VAL N N 66 127.343 123.634 3.709 1
1 859 . 18 1 1 A 70 70 ILE H H 67 9.241 9.300 -0.059 1
1 860 . 18 1 1 A 70 70 ILE HA H 67 4.471 4.438 0.033 1
1 870 . 18 1 1 A 70 70 ILE C C 67 177.081 176.174 0.907 1
1 871 . 18 1 1 A 70 70 ILE CA C 67 59.716 61.014 -1.298 1
1 872 . 18 1 1 A 70 70 ILE CB C 67 37.169 37.009 0.160 1
1 876 . 18 1 1 A 70 70 ILE N N 67 129.254 127.613 1.641 1
1 877 . 18 1 1 A 71 71 ASP H H 68 9.374 8.818 0.556 1
1 878 . 18 1 1 A 71 71 ASP HA H 68 4.574 4.508 0.066 1
1 881 . 18 1 1 A 71 71 ASP C C 68 179.868 178.115 1.753 1
1 882 . 18 1 1 A 71 71 ASP CA C 68 58.797 57.382 1.415 1
1 883 . 18 1 1 A 71 71 ASP CB C 68 40.544 40.641 -0.097 1
1 884 . 18 1 1 A 71 71 ASP N N 68 129.133 128.956 0.177 1
1 885 . 18 1 1 A 72 72 GLU H H 69 9.631 8.264 1.367 1
1 886 . 18 1 1 A 72 72 GLU HA H 69 4.088 4.109 -0.021 1
1 891 . 18 1 1 A 72 72 GLU C C 69 176.865 177.809 -0.944 1
1 892 . 18 1 1 A 72 72 GLU CA C 69 59.670 59.307 0.363 1
1 893 . 18 1 1 A 72 72 GLU CB C 69 29.100 29.698 -0.598 1
1 895 . 18 1 1 A 72 72 GLU N N 69 118.880 118.626 0.254 1
1 896 . 18 1 1 A 73 73 LYS H H 70 6.582 7.749 -1.167 1
1 897 . 18 1 1 A 73 73 LYS HA H 70 4.474 4.413 0.061 1
1 906 . 18 1 1 A 73 73 LYS C C 70 173.964 175.544 -1.580 1
1 907 . 18 1 1 A 73 73 LYS CA C 70 54.604 55.691 -1.087 1
1 908 . 18 1 1 A 73 73 LYS CB C 70 34.075 33.189 0.886 1
1 912 . 18 1 1 A 73 73 LYS N N 70 114.014 117.072 -3.058 1
1 913 . 18 1 1 A 74 74 VAL H H 71 7.791 7.673 0.118 1
1 914 . 18 1 1 A 74 74 VAL HA H 71 2.948 3.543 -0.595 1
1 922 . 18 1 1 A 74 74 VAL C C 71 173.381 174.180 -0.799 1
1 923 . 18 1 1 A 74 74 VAL CA C 71 63.045 63.638 -0.593 1
1 924 . 18 1 1 A 74 74 VAL CB C 71 29.013 29.550 -0.537 1
1 927 . 18 1 1 A 74 74 VAL N N 71 119.301 116.265 3.036 1
1 928 . 18 1 1 A 75 75 VAL H H 72 7.736 7.918 -0.182 1
1 929 . 18 1 1 A 75 75 VAL HA H 72 5.159 5.106 0.053 1
1 937 . 18 1 1 A 75 75 VAL C C 72 175.028 173.632 1.396 1
1 938 . 18 1 1 A 75 75 VAL CA C 72 59.839 60.368 -0.529 1
1 939 . 18 1 1 A 75 75 VAL CB C 72 37.732 35.662 2.070 1
1 942 . 18 1 1 A 75 75 VAL N N 72 116.865 120.080 -3.215 1
1 943 . 18 1 1 A 76 76 VAL H H 73 9.006 9.245 -0.239 1
1 944 . 18 1 1 A 76 76 VAL HA H 73 4.190 4.630 -0.440 1
1 952 . 18 1 1 A 76 76 VAL C C 73 172.177 174.556 -2.379 1
1 953 . 18 1 1 A 76 76 VAL CA C 73 62.473 61.025 1.448 1
1 954 . 18 1 1 A 76 76 VAL CB C 73 32.388 32.574 -0.186 1
1 957 . 18 1 1 A 76 76 VAL N N 73 128.675 128.156 0.519 1
1 958 . 18 1 1 A 77 77 PHE H H 74 9.468 9.364 0.104 1
1 959 . 18 1 1 A 77 77 PHE HA H 74 5.019 5.378 -0.359 1
1 966 . 18 1 1 A 77 77 PHE C C 74 174.420 173.956 0.464 1
1 967 . 18 1 1 A 77 77 PHE CA C 74 54.378 55.355 -0.977 1
1 968 . 18 1 1 A 77 77 PHE CB C 74 42.230 41.409 0.821 1
1 969 . 18 1 1 A 77 77 PHE N N 74 130.014 127.970 2.044 1
1 970 . 18 1 1 A 78 78 VAL H H 75 8.990 9.264 -0.274 1
1 971 . 18 1 1 A 78 78 VAL HA H 75 3.645 4.172 -0.527 1
1 979 . 18 1 1 A 78 78 VAL C C 75 174.813 175.523 -0.710 1
1 980 . 18 1 1 A 78 78 VAL CA C 75 64.452 63.421 1.031 1
1 981 . 18 1 1 A 78 78 VAL CB C 75 31.009 31.520 -0.511 1
1 984 . 18 1 1 A 78 78 VAL N N 75 128.474 127.409 1.065 1
1 985 . 18 1 1 A 79 79 ILE H H 76 8.679 9.124 -0.445 1
1 986 . 18 1 1 A 79 79 ILE HA H 76 4.171 4.089 0.082 1
1 996 . 18 1 1 A 79 79 ILE C C 76 176.092 176.233 -0.141 1
1 997 . 18 1 1 A 79 79 ILE CA C 76 61.635 62.354 -0.719 1
1 998 . 18 1 1 A 79 79 ILE CB C 76 39.982 38.430 1.552 1
1 1002 . 18 1 1 A 79 79 ILE N N 76 122.334 128.895 -6.561 1
1 1003 . 18 1 1 A 80 80 SER H H 77 7.614 7.616 -0.002 1
1 1004 . 18 1 1 A 80 80 SER HA H 77 4.724 4.938 -0.214 1
1 1007 . 18 1 1 A 80 80 SER C C 77 172.545 172.900 -0.355 1
1 1008 . 18 1 1 A 80 80 SER CA C 77 57.849 57.319 0.530 1
1 1009 . 18 1 1 A 80 80 SER CB C 77 64.733 65.909 -1.176 1
1 1010 . 18 1 1 A 80 80 SER N N 77 113.369 112.460 0.909 1
1 1011 . 18 1 1 A 81 81 VAL H H 78 8.814 9.021 -0.207 1
1 1012 . 18 1 1 A 81 81 VAL HA H 78 5.102 5.076 0.026 1
1 1020 . 18 1 1 A 81 81 VAL C C 78 173.761 174.730 -0.969 1
1 1021 . 18 1 1 A 81 81 VAL CA C 78 61.004 59.979 1.025 1
1 1022 . 18 1 1 A 81 81 VAL CB C 78 34.638 35.519 -0.881 1
1 1025 . 18 1 1 A 81 81 VAL N N 78 123.792 119.798 3.994 1
1 1026 . 18 1 1 A 82 82 GLY H H 79 8.628 8.571 0.057 1
1 1027 . 18 1 1 A 82 82 GLY HA2 H 79 4.365 4.365 0.000 1
1 1028 . 18 1 1 A 82 82 GLY HA3 H 79 4.214 4.518 -0.304 1
1 1029 . 18 1 1 A 82 82 GLY C C 79 171.201 172.300 -1.099 1
1 1030 . 18 1 1 A 82 82 GLY CA C 79 45.606 45.920 -0.314 1
1 1031 . 18 1 1 A 82 82 GLY N N 79 111.112 114.220 -3.108 1
1 1032 . 18 1 1 A 83 83 LYS H H 80 8.670 8.339 0.331 1
1 1033 . 18 1 1 A 83 83 LYS HA H 80 4.205 4.958 -0.753 1
1 1042 . 18 1 1 A 83 83 LYS C C 80 176.080 176.490 -0.410 1
1 1043 . 18 1 1 A 83 83 LYS CA C 80 55.451 54.201 1.250 1
1 1044 . 18 1 1 A 83 83 LYS CB C 80 32.665 35.342 -2.677 1
1 1048 . 18 1 1 A 83 83 LYS N N 80 120.943 123.510 -2.567 1
1 1049 . 18 1 1 A 84 84 ALA H H 81 8.049 8.416 -0.367 1
1 1050 . 18 1 1 A 84 84 ALA HA H 81 4.182 4.596 -0.414 1
1 1054 . 18 1 1 A 84 84 ALA C C 81 176.941 177.768 -0.827 1
1 1055 . 18 1 1 A 84 84 ALA CA C 81 52.248 51.780 0.468 1
1 1056 . 18 1 1 A 84 84 ALA CB C 81 19.450 19.612 -0.162 1
1 1057 . 18 1 1 A 84 84 ALA N N 81 125.262 123.623 1.639 1
1 1058 . 18 1 1 A 85 85 GLU H H 82 8.460 7.675 0.785 1
1 1059 . 18 1 1 A 85 85 GLU HA H 82 4.230 4.357 -0.127 1
1 1064 . 18 1 1 A 85 85 GLU C C 82 176.599 176.671 -0.072 1
1 1065 . 18 1 1 A 85 85 GLU CA C 82 56.446 56.832 -0.386 1
1 1066 . 18 1 1 A 85 85 GLU CB C 82 29.853 30.012 -0.159 1
1 1068 . 18 1 1 A 85 85 GLU N N 82 119.296 118.681 0.615 1
1 1069 . 18 1 1 A 86 86 ALA H H 83 8.403 9.118 -0.715 1
1 1070 . 18 1 1 A 86 86 ALA HA H 83 4.149 4.074 0.075 1
1 1074 . 18 1 1 A 86 86 ALA C C 83 177.777 176.616 1.161 1
1 1075 . 18 1 1 A 86 86 ALA CA C 83 53.448 53.647 -0.199 1
1 1076 . 18 1 1 A 86 86 ALA CB C 83 18.887 17.653 1.234 1
1 1077 . 18 1 1 A 86 86 ALA N N 83 124.833 126.832 -1.999 1
1 1078 . 18 1 1 A 87 87 SER H H 84 8.301 8.501 -0.200 1
1 1079 . 18 1 1 A 87 87 SER HA H 84 4.297 4.420 -0.123 1
1 1082 . 18 1 1 A 87 87 SER C C 84 175.370 174.227 1.143 1
1 1083 . 18 1 1 A 87 87 SER N N 84 113.395 104.953 8.442 1
1 1084 . 18 1 1 A 88 88 GLU H H 85 8.271 7.834 0.437 1
1 1085 . 18 1 1 A 88 88 GLU HA H 85 4.239 4.110 0.129 1
1 1090 . 18 1 1 A 88 88 GLU C C 85 177.081 179.381 -2.300 1
1 1091 . 18 1 1 A 88 88 GLU CA C 85 57.140 59.460 -2.320 1
1 1092 . 18 1 1 A 88 88 GLU CB C 85 29.856 29.515 0.341 1
1 1094 . 18 1 1 A 88 88 GLU N N 85 122.554 119.923 2.631 1
1 1095 . 18 1 1 A 89 89 VAL H H 86 7.833 8.004 -0.171 1
1 1096 . 18 1 1 A 89 89 VAL HA H 86 3.895 3.764 0.131 1
1 1104 . 18 1 1 A 89 89 VAL C C 86 177.172 177.704 -0.532 1
1 1105 . 18 1 1 A 89 89 VAL CA C 86 63.045 65.611 -2.566 1
1 1106 . 18 1 1 A 89 89 VAL CB C 86 32.107 31.244 0.863 1
1 1109 . 18 1 1 A 89 89 VAL N N 86 119.916 117.121 2.795 1
1 1110 . 18 1 1 A 90 90 TYR H H 87 8.142 7.420 0.722 1
1 1111 . 18 1 1 A 90 90 TYR HA H 87 4.479 4.361 0.118 1
1 1118 . 18 1 1 A 90 90 TYR C C 87 176.637 178.572 -1.935 1
1 1119 . 18 1 1 A 90 90 TYR CA C 87 58.545 60.573 -2.028 1
1 1120 . 18 1 1 A 90 90 TYR CB C 87 37.732 38.749 -1.017 1
1 1121 . 18 1 1 A 90 90 TYR N N 87 122.303 122.048 0.255 1
1 1122 . 18 1 1 A 91 91 SER H H 88 8.090 8.591 -0.501 1
1 1123 . 18 1 1 A 91 91 SER HA H 88 4.335 4.041 0.294 1
1 1126 . 18 1 1 A 91 91 SER C C 88 176.130 177.357 -1.227 1
1 1127 . 18 1 1 A 91 91 SER CA C 88 59.899 61.769 -1.870 1
1 1128 . 18 1 1 A 91 91 SER CB C 88 62.483 63.022 -0.539 1
1 1129 . 18 1 1 A 91 91 SER N N 88 115.828 115.463 0.365 1
1 1130 . 18 1 1 A 92 92 GLU H H 89 8.234 8.425 -0.191 1
1 1131 . 18 1 1 A 92 92 GLU HA H 89 4.213 4.075 0.138 1
1 1136 . 18 1 1 A 92 92 GLU C C 89 177.600 178.431 -0.831 1
1 1137 . 18 1 1 A 92 92 GLU CA C 89 57.701 59.040 -1.339 1
1 1138 . 18 1 1 A 92 92 GLU CB C 89 29.575 29.390 0.185 1
1 1140 . 18 1 1 A 92 92 GLU N N 89 121.225 120.977 0.248 1
1 1141 . 18 1 1 A 93 93 ALA H H 90 7.960 7.994 -0.034 1
1 1142 . 18 1 1 A 93 93 ALA HA H 90 4.025 4.100 -0.075 1
1 1146 . 18 1 1 A 93 93 ALA C C 90 178.550 179.615 -1.065 1
1 1147 . 18 1 1 A 93 93 ALA CA C 90 54.225 54.852 -0.627 1
1 1148 . 18 1 1 A 93 93 ALA CB C 90 18.325 18.297 0.028 1
1 1149 . 18 1 1 A 93 93 ALA N N 90 122.055 121.997 0.058 1
1 1150 . 18 1 1 A 94 94 VAL H H 91 7.799 8.193 -0.394 1
1 1151 . 18 1 1 A 94 94 VAL HA H 91 3.818 3.863 -0.045 1
1 1159 . 18 1 1 A 94 94 VAL CA C 91 64.167 64.737 -0.570 1
1 1160 . 18 1 1 A 94 94 VAL CB C 91 31.825 31.619 0.206 1
1 1163 . 18 1 1 A 94 94 VAL N N 91 115.727 116.809 -1.082 1
1 1164 . 18 1 1 A 95 95 LYS H H 92 7.764 8.439 -0.675 1
1 1165 . 18 1 1 A 95 95 LYS HA H 92 4.197 4.137 0.060 1
1 1174 . 18 1 1 A 95 95 LYS C C 92 177.600 179.415 -1.815 1
1 1175 . 18 1 1 A 95 95 LYS CA C 92 57.139 59.282 -2.143 1
1 1176 . 18 1 1 A 95 95 LYS CB C 92 32.600 32.209 0.391 1
1 1180 . 18 1 1 A 95 95 LYS N N 92 120.823 121.914 -1.091 1
1 1181 . 18 1 1 A 96 96 ARG H H 93 7.970 7.954 0.016 1
1 1182 . 18 1 1 A 96 96 ARG HA H 93 4.341 4.049 0.292 1
1 1189 . 18 1 1 A 96 96 ARG C C 93 179.703 177.037 2.666 1
1 1190 . 18 1 1 A 96 96 ARG CA C 93 56.295 58.578 -2.283 1
1 1191 . 18 1 1 A 96 96 ARG CB C 93 31.400 29.666 1.734 1
1 1194 . 18 1 1 A 96 96 ARG N N 93 119.070 119.035 0.035 1
1 1195 . 18 1 1 A 97 97 ILE H H 94 8.012 7.354 0.658 1
1 1196 . 18 1 1 A 97 97 ILE HA H 94 4.216 3.981 0.235 1
1 1206 . 18 1 1 A 97 97 ILE C C 94 175.509 175.922 -0.413 1
1 1207 . 18 1 1 A 97 97 ILE CA C 94 61.362 62.420 -1.058 1
1 1208 . 18 1 1 A 97 97 ILE CB C 94 38.576 37.921 0.655 1
1 1212 . 18 1 1 A 97 97 ILE N N 94 120.512 119.517 0.995 1
1 16 . 19 1 1 A 5 5 ALA H H 2 8.084 8.896 -0.812 1
1 17 . 19 1 1 A 5 5 ALA HA H 2 4.423 5.539 -1.116 1
1 21 . 19 1 1 A 5 5 ALA C C 2 176.536 175.227 1.309 1
1 22 . 19 1 1 A 5 5 ALA CA C 2 51.634 49.952 1.682 1
1 23 . 19 1 1 A 5 5 ALA CB C 2 19.439 22.836 -3.397 1
1 24 . 19 1 1 A 5 5 ALA N N 2 125.284 127.901 -2.617 1
1 25 . 19 1 1 A 6 6 TYR H H 3 8.406 8.899 -0.493 1
1 26 . 19 1 1 A 6 6 TYR HA H 3 4.312 4.689 -0.377 1
1 33 . 19 1 1 A 6 6 TYR C C 3 175.433 175.192 0.241 1
1 34 . 19 1 1 A 6 6 TYR CA C 3 57.701 56.417 1.284 1
1 35 . 19 1 1 A 6 6 TYR CB C 3 39.701 42.409 -2.708 1
1 36 . 19 1 1 A 6 6 TYR N N 3 120.887 118.259 2.628 1
1 37 . 19 1 1 A 7 7 PHE H H 4 8.703 9.461 -0.758 1
1 38 . 19 1 1 A 7 7 PHE HA H 4 4.645 4.829 -0.184 1
1 45 . 19 1 1 A 7 7 PHE C C 4 173.812 175.013 -1.201 1
1 46 . 19 1 1 A 7 7 PHE CA C 4 56.853 57.921 -1.068 1
1 47 . 19 1 1 A 7 7 PHE CB C 4 40.541 40.401 0.140 1
1 48 . 19 1 1 A 7 7 PHE N N 4 119.295 120.509 -1.214 1
1 49 . 19 1 1 A 8 8 LEU H H 5 8.255 8.689 -0.434 1
1 50 . 19 1 1 A 8 8 LEU HA H 5 4.985 5.243 -0.258 1
1 60 . 19 1 1 A 8 8 LEU C C 5 174.927 174.408 0.519 1
1 61 . 19 1 1 A 8 8 LEU CA C 5 53.544 53.381 0.163 1
1 62 . 19 1 1 A 8 8 LEU CB C 5 44.201 46.144 -1.943 1
1 66 . 19 1 1 A 8 8 LEU N N 5 124.516 122.945 1.571 1
1 67 . 19 1 1 A 9 9 ASP H H 6 9.047 8.478 0.569 1
1 68 . 19 1 1 A 9 9 ASP HA H 6 5.089 5.202 -0.113 1
1 71 . 19 1 1 A 9 9 ASP C C 6 173.216 174.060 -0.844 1
1 72 . 19 1 1 A 9 9 ASP CA C 6 52.278 53.285 -1.007 1
1 73 . 19 1 1 A 9 9 ASP CB C 6 45.326 45.102 0.224 1
1 74 . 19 1 1 A 9 9 ASP N N 6 126.171 123.744 2.427 1
1 75 . 19 1 1 A 10 10 PHE H H 7 8.891 8.892 -0.001 1
1 76 . 19 1 1 A 10 10 PHE HA H 7 4.545 4.646 -0.101 1
1 83 . 19 1 1 A 10 10 PHE C C 7 175.218 174.562 0.656 1
1 84 . 19 1 1 A 10 10 PHE CA C 7 56.243 56.309 -0.066 1
1 85 . 19 1 1 A 10 10 PHE CB C 7 43.638 42.030 1.608 1
1 86 . 19 1 1 A 10 10 PHE N N 7 119.178 120.554 -1.376 1
1 87 . 19 1 1 A 11 11 ASP H H 8 8.124 8.294 -0.170 1
1 88 . 19 1 1 A 11 11 ASP HA H 8 4.551 4.650 -0.099 1
1 91 . 19 1 1 A 11 11 ASP C C 8 177.157 177.447 -0.290 1
1 92 . 19 1 1 A 11 11 ASP CA C 8 54.315 54.404 -0.089 1
1 93 . 19 1 1 A 11 11 ASP CB C 8 44.201 42.740 1.461 1
1 94 . 19 1 1 A 11 11 ASP N N 8 123.305 124.129 -0.824 1
1 95 . 19 1 1 A 12 12 GLU H H 9 9.197 9.020 0.177 1
1 96 . 19 1 1 A 12 12 GLU HA H 9 4.016 4.102 -0.086 1
1 101 . 19 1 1 A 12 12 GLU C C 9 178.880 178.550 0.330 1
1 102 . 19 1 1 A 12 12 GLU CA C 9 60.365 59.516 0.849 1
1 103 . 19 1 1 A 12 12 GLU CB C 9 29.670 29.156 0.514 1
1 105 . 19 1 1 A 12 12 GLU N N 9 127.082 123.299 3.783 1
1 106 . 19 1 1 A 13 13 ARG H H 10 8.949 8.481 0.468 1
1 107 . 19 1 1 A 13 13 ARG HA H 10 4.097 4.035 0.062 1
1 114 . 19 1 1 A 13 13 ARG C C 10 179.273 179.006 0.267 1
1 115 . 19 1 1 A 13 13 ARG CA C 10 58.924 59.149 -0.225 1
1 116 . 19 1 1 A 13 13 ARG CB C 10 30.138 30.091 0.047 1
1 119 . 19 1 1 A 13 13 ARG N N 10 119.265 119.521 -0.256 1
1 120 . 19 1 1 A 14 14 ALA H H 11 7.451 8.151 -0.700 1
1 121 . 19 1 1 A 14 14 ALA HA H 11 4.685 4.207 0.478 1
1 125 . 19 1 1 A 14 14 ALA C C 11 179.564 179.791 -0.227 1
1 126 . 19 1 1 A 14 14 ALA CA C 11 53.705 55.084 -1.379 1
1 127 . 19 1 1 A 14 14 ALA CB C 11 18.325 18.482 -0.157 1
1 128 . 19 1 1 A 14 14 ALA N N 11 122.421 122.255 0.166 1
1 129 . 19 1 1 A 15 15 LEU H H 12 8.683 8.258 0.425 1
1 130 . 19 1 1 A 15 15 LEU HA H 12 3.877 4.019 -0.142 1
1 140 . 19 1 1 A 15 15 LEU C C 12 178.550 179.092 -0.542 1
1 141 . 19 1 1 A 15 15 LEU CA C 12 57.139 57.163 -0.024 1
1 142 . 19 1 1 A 15 15 LEU CB C 12 41.103 41.790 -0.687 1
1 146 . 19 1 1 A 15 15 LEU N N 12 120.118 120.400 -0.282 1
1 147 . 19 1 1 A 16 16 LYS H H 13 7.345 8.100 -0.755 1
1 148 . 19 1 1 A 16 16 LYS HA H 13 3.995 3.968 0.027 1
1 157 . 19 1 1 A 16 16 LYS C C 13 179.678 179.826 -0.148 1
1 158 . 19 1 1 A 16 16 LYS CA C 13 59.700 60.408 -0.708 1
1 159 . 19 1 1 A 16 16 LYS CB C 13 32.388 32.114 0.274 1
1 163 . 19 1 1 A 16 16 LYS N N 13 117.725 119.771 -2.046 1
1 164 . 19 1 1 A 17 17 GLU H H 14 7.453 8.019 -0.566 1
1 165 . 19 1 1 A 17 17 GLU HA H 14 4.016 4.121 -0.105 1
1 170 . 19 1 1 A 17 17 GLU C C 14 179.589 179.128 0.461 1
1 171 . 19 1 1 A 17 17 GLU CA C 14 58.841 59.141 -0.300 1
1 172 . 19 1 1 A 17 17 GLU CB C 14 29.298 29.432 -0.134 1
1 174 . 19 1 1 A 17 17 GLU N N 14 118.019 119.749 -1.730 1
1 175 . 19 1 1 A 18 18 TRP H H 15 9.081 8.453 0.628 1
1 176 . 19 1 1 A 18 18 TRP HA H 15 4.174 4.161 0.013 1
1 183 . 19 1 1 A 18 18 TRP C C 15 178.360 178.639 -0.279 1
1 184 . 19 1 1 A 18 18 TRP CA C 15 59.938 60.991 -1.053 1
1 185 . 19 1 1 A 18 18 TRP CB C 15 30.241 29.596 0.645 1
1 186 . 19 1 1 A 18 18 TRP N N 15 122.628 122.054 0.574 1
1 188 . 19 1 1 A 19 19 ARG H H 16 8.197 8.081 0.116 1
1 189 . 19 1 1 A 19 19 ARG HA H 16 3.863 3.994 -0.131 1
1 196 . 19 1 1 A 19 19 ARG C C 16 177.030 179.169 -2.139 1
1 197 . 19 1 1 A 19 19 ARG CA C 16 58.516 58.956 -0.440 1
1 198 . 19 1 1 A 19 19 ARG CB C 16 30.300 29.746 0.554 1
1 201 . 19 1 1 A 19 19 ARG N N 16 115.582 118.430 -2.848 1
1 202 . 19 1 1 A 20 20 LYS H H 17 7.308 7.693 -0.385 1
1 203 . 19 1 1 A 20 20 LYS HA H 17 4.238 4.097 0.141 1
1 212 . 19 1 1 A 20 20 LYS C C 17 177.043 177.054 -0.011 1
1 213 . 19 1 1 A 20 20 LYS CA C 17 56.270 58.548 -2.278 1
1 214 . 19 1 1 A 20 20 LYS CB C 17 32.300 31.997 0.303 1
1 218 . 19 1 1 A 20 20 LYS N N 17 116.689 119.518 -2.829 1
1 219 . 19 1 1 A 21 21 LEU H H 18 6.998 7.109 -0.111 1
1 220 . 19 1 1 A 21 21 LEU HA H 18 4.026 4.190 -0.164 1
1 230 . 19 1 1 A 21 21 LEU C C 18 177.676 177.398 0.278 1
1 231 . 19 1 1 A 21 21 LEU CA C 18 54.567 54.570 -0.003 1
1 232 . 19 1 1 A 21 21 LEU CB C 18 43.357 41.769 1.588 1
1 236 . 19 1 1 A 21 21 LEU N N 18 118.778 121.769 -2.991 1
1 237 . 19 1 1 A 22 22 GLY H H 19 8.370 8.247 0.123 1
1 238 . 19 1 1 A 22 22 GLY HA2 H 19 4.064 3.918 0.146 1
1 239 . 19 1 1 A 22 22 GLY HA3 H 19 3.845 3.945 -0.100 1
1 240 . 19 1 1 A 22 22 GLY C C 19 174.813 174.738 0.075 1
1 241 . 19 1 1 A 22 22 GLY CA C 19 45.045 44.953 0.092 1
1 242 . 19 1 1 A 22 22 GLY N N 19 107.490 109.266 -1.776 1
1 243 . 19 1 1 A 23 23 SER H H 20 8.675 8.981 -0.306 1
1 244 . 19 1 1 A 23 23 SER HA H 20 4.288 4.027 0.261 1
1 247 . 19 1 1 A 23 23 SER CA C 20 58.981 61.828 -2.847 1
1 248 . 19 1 1 A 23 23 SER CB C 20 63.045 62.273 0.772 1
1 249 . 19 1 1 A 23 23 SER N N 20 117.877 116.686 1.191 1
1 250 . 19 1 1 A 24 24 THR H H 21 8.216 7.971 0.245 1
1 251 . 19 1 1 A 24 24 THR HA H 21 3.983 3.937 0.046 1
1 256 . 19 1 1 A 24 24 THR C C 21 176.510 176.690 -0.180 1
1 257 . 19 1 1 A 24 24 THR CA C 21 65.858 66.352 -0.494 1
1 258 . 19 1 1 A 24 24 THR CB C 21 67.941 68.051 -0.110 1
1 260 . 19 1 1 A 24 24 THR N N 21 115.680 116.484 -0.804 1
1 261 . 19 1 1 A 25 25 VAL H H 22 7.143 7.722 -0.579 1
1 262 . 19 1 1 A 25 25 VAL HA H 22 3.545 3.411 0.134 1
1 270 . 19 1 1 A 25 25 VAL C C 22 177.613 177.657 -0.044 1
1 271 . 19 1 1 A 25 25 VAL CA C 22 65.577 66.596 -1.019 1
1 272 . 19 1 1 A 25 25 VAL CB C 22 31.544 31.216 0.328 1
1 275 . 19 1 1 A 25 25 VAL N N 22 122.443 121.790 0.653 1
1 276 . 19 1 1 A 26 26 ARG H H 23 7.840 8.385 -0.545 1
1 277 . 19 1 1 A 26 26 ARG HA H 23 3.156 3.530 -0.374 1
1 284 . 19 1 1 A 26 26 ARG C C 23 177.790 178.202 -0.412 1
1 285 . 19 1 1 A 26 26 ARG CA C 23 59.951 58.466 1.485 1
1 286 . 19 1 1 A 26 26 ARG CB C 23 29.590 29.367 0.223 1
1 289 . 19 1 1 A 26 26 ARG N N 23 119.146 119.836 -0.690 1
1 290 . 19 1 1 A 27 27 GLU H H 24 8.159 8.345 -0.186 1
1 291 . 19 1 1 A 27 27 GLU HA H 24 3.970 4.106 -0.136 1
1 296 . 19 1 1 A 27 27 GLU C C 24 179.577 179.599 -0.022 1
1 297 . 19 1 1 A 27 27 GLU CA C 24 59.400 59.096 0.304 1
1 298 . 19 1 1 A 27 27 GLU CB C 24 29.013 29.489 -0.476 1
1 300 . 19 1 1 A 27 27 GLU N N 24 116.672 119.144 -2.472 1
1 301 . 19 1 1 A 28 28 GLN H H 25 7.693 7.690 0.003 1
1 302 . 19 1 1 A 28 28 GLN HA H 25 4.094 4.093 0.001 1
1 309 . 19 1 1 A 28 28 GLN C C 25 179.919 179.012 0.907 1
1 310 . 19 1 1 A 28 28 GLN CA C 25 59.108 58.582 0.526 1
1 311 . 19 1 1 A 28 28 GLN CB C 25 29.575 28.508 1.067 1
1 313 . 19 1 1 A 28 28 GLN N N 25 118.482 118.262 0.220 1
1 315 . 19 1 1 A 29 29 LEU H H 26 8.441 8.655 -0.214 1
1 316 . 19 1 1 A 29 29 LEU HA H 26 4.096 4.073 0.023 1
1 326 . 19 1 1 A 29 29 LEU C C 26 178.804 179.270 -0.466 1
1 327 . 19 1 1 A 29 29 LEU CA C 26 57.983 58.168 -0.185 1
1 328 . 19 1 1 A 29 29 LEU CB C 26 42.513 41.827 0.686 1
1 332 . 19 1 1 A 29 29 LEU N N 26 119.907 120.049 -0.142 1
1 333 . 19 1 1 A 30 30 LYS H H 27 9.233 8.664 0.569 1
1 334 . 19 1 1 A 30 30 LYS HA H 27 4.076 4.184 -0.108 1
1 343 . 19 1 1 A 30 30 LYS C C 27 178.056 178.769 -0.713 1
1 344 . 19 1 1 A 30 30 LYS CA C 27 60.233 59.748 0.485 1
1 345 . 19 1 1 A 30 30 LYS CB C 27 32.103 32.690 -0.587 1
1 349 . 19 1 1 A 30 30 LYS N N 27 120.508 120.483 0.025 1
1 350 . 19 1 1 A 31 31 LYS H H 28 7.698 7.560 0.138 1
1 351 . 19 1 1 A 31 31 LYS HA H 28 4.056 4.107 -0.051 1
1 360 . 19 1 1 A 31 31 LYS C C 28 179.539 179.561 -0.022 1
1 361 . 19 1 1 A 31 31 LYS CA C 28 59.596 59.822 -0.226 1
1 362 . 19 1 1 A 31 31 LYS CB C 28 32.400 32.150 0.250 1
1 366 . 19 1 1 A 31 31 LYS N N 28 117.412 118.229 -0.817 1
1 367 . 19 1 1 A 32 32 LYS H H 29 7.347 7.901 -0.554 1
1 368 . 19 1 1 A 32 32 LYS HA H 29 4.230 4.010 0.220 1
1 377 . 19 1 1 A 32 32 LYS C C 29 179.057 179.415 -0.358 1
1 378 . 19 1 1 A 32 32 LYS CA C 29 57.553 59.612 -2.059 1
1 379 . 19 1 1 A 32 32 LYS CB C 29 32.103 32.691 -0.588 1
1 383 . 19 1 1 A 32 32 LYS N N 29 116.983 120.043 -3.060 1
1 384 . 19 1 1 A 33 33 LEU H H 30 8.663 8.188 0.475 1
1 385 . 19 1 1 A 33 33 LEU HA H 30 3.844 3.999 -0.155 1
1 395 . 19 1 1 A 33 33 LEU C C 30 177.765 178.934 -1.169 1
1 396 . 19 1 1 A 33 33 LEU CA C 30 57.420 57.904 -0.484 1
1 397 . 19 1 1 A 33 33 LEU CB C 30 42.513 41.773 0.740 1
1 401 . 19 1 1 A 33 33 LEU N N 30 121.134 119.933 1.201 1
1 402 . 19 1 1 A 34 34 VAL H H 31 8.185 8.283 -0.098 1
1 403 . 19 1 1 A 34 34 VAL HA H 31 3.548 3.482 0.066 1
1 411 . 19 1 1 A 34 34 VAL C C 31 178.639 178.012 0.627 1
1 412 . 19 1 1 A 34 34 VAL CA C 31 66.702 66.866 -0.164 1
1 413 . 19 1 1 A 34 34 VAL CB C 31 31.544 31.075 0.469 1
1 416 . 19 1 1 A 34 34 VAL N N 31 117.076 118.533 -1.457 1
1 417 . 19 1 1 A 35 35 GLU H H 32 7.143 8.529 -1.386 1
1 418 . 19 1 1 A 35 35 GLU HA H 32 4.093 4.091 0.002 1
1 423 . 19 1 1 A 35 35 GLU C C 32 179.450 178.833 0.617 1
1 424 . 19 1 1 A 35 35 GLU CA C 32 58.264 59.076 -0.812 1
1 425 . 19 1 1 A 35 35 GLU CB C 32 29.575 29.223 0.352 1
1 427 . 19 1 1 A 35 35 GLU N N 32 117.290 119.367 -2.077 1
1 428 . 19 1 1 A 36 36 VAL H H 33 7.659 8.093 -0.434 1
1 429 . 19 1 1 A 36 36 VAL HA H 33 3.774 3.816 -0.042 1
1 437 . 19 1 1 A 36 36 VAL C C 33 176.929 177.639 -0.710 1
1 438 . 19 1 1 A 36 36 VAL CA C 33 63.889 65.281 -1.392 1
1 439 . 19 1 1 A 36 36 VAL CB C 33 31.825 31.109 0.716 1
1 442 . 19 1 1 A 36 36 VAL N N 33 118.056 120.007 -1.951 1
1 443 . 19 1 1 A 37 37 LEU H H 34 7.679 7.942 -0.263 1
1 444 . 19 1 1 A 37 37 LEU HA H 34 3.619 3.899 -0.280 1
1 454 . 19 1 1 A 37 37 LEU C C 34 177.968 179.263 -1.295 1
1 455 . 19 1 1 A 37 37 LEU CA C 34 57.420 57.290 0.130 1
1 456 . 19 1 1 A 37 37 LEU CB C 34 40.263 41.445 -1.182 1
1 460 . 19 1 1 A 37 37 LEU N N 34 116.847 121.741 -4.894 1
1 461 . 19 1 1 A 38 38 GLU H H 35 7.238 8.507 -1.269 1
1 462 . 19 1 1 A 38 38 GLU HA H 35 4.295 4.705 -0.410 1
1 467 . 19 1 1 A 38 38 GLU C C 35 177.853 176.872 0.981 1
1 468 . 19 1 1 A 38 38 GLU CA C 35 57.900 58.179 -0.279 1
1 469 . 19 1 1 A 38 38 GLU CB C 35 30.138 28.669 1.469 1
1 471 . 19 1 1 A 38 38 GLU N N 35 113.881 116.883 -3.002 1
1 472 . 19 1 1 A 39 39 SER H H 36 7.101 7.994 -0.893 1
1 473 . 19 1 1 A 39 39 SER HA H 36 4.518 4.998 -0.480 1
1 476 . 19 1 1 A 39 39 SER CA C 36 55.553 55.572 -0.019 1
1 477 . 19 1 1 A 39 39 SER CB C 36 61.920 63.374 -1.454 1
1 478 . 19 1 1 A 39 39 SER N N 36 109.128 115.925 -6.797 1
1 479 . 19 1 1 A 40 40 PRO HA H 37 4.363 4.312 0.051 1
1 486 . 19 1 1 A 40 40 PRO C C 37 177.879 177.130 0.749 1
1 487 . 19 1 1 A 40 40 PRO CA C 37 64.705 63.774 0.931 1
1 488 . 19 1 1 A 40 40 PRO CB C 37 32.669 31.711 0.958 1
1 491 . 19 1 1 A 41 41 ARG H H 38 8.299 8.276 0.023 1
1 492 . 19 1 1 A 41 41 ARG HA H 38 3.183 4.467 -1.284 1
1 499 . 19 1 1 A 41 41 ARG C C 38 174.217 175.640 -1.423 1
1 500 . 19 1 1 A 41 41 ARG CA C 38 56.014 56.065 -0.051 1
1 501 . 19 1 1 A 41 41 ARG CB C 38 29.571 29.774 -0.203 1
1 504 . 19 1 1 A 41 41 ARG N N 38 121.121 115.434 5.687 1
1 505 . 19 1 1 A 42 42 ILE H H 39 5.995 7.265 -1.270 1
1 506 . 19 1 1 A 42 42 ILE HA H 39 4.177 4.328 -0.151 1
1 516 . 19 1 1 A 42 42 ILE C C 39 176.295 177.442 -1.147 1
1 517 . 19 1 1 A 42 42 ILE CA C 39 59.389 61.242 -1.853 1
1 518 . 19 1 1 A 42 42 ILE CB C 39 39.138 36.929 2.209 1
1 522 . 19 1 1 A 42 42 ILE N N 39 128.247 122.125 6.122 1
1 523 . 19 1 1 A 43 43 GLU H H 40 8.893 8.884 0.009 1
1 524 . 19 1 1 A 43 43 GLU HA H 40 4.174 4.122 0.052 1
1 529 . 19 1 1 A 43 43 GLU C C 40 178.918 178.378 0.540 1
1 530 . 19 1 1 A 43 43 GLU CA C 40 60.336 58.819 1.517 1
1 531 . 19 1 1 A 43 43 GLU CB C 40 29.100 29.112 -0.012 1
1 533 . 19 1 1 A 43 43 GLU N N 40 130.055 127.632 2.423 1
1 534 . 19 1 1 A 44 44 ALA H H 41 8.851 7.909 0.942 1
1 535 . 19 1 1 A 44 44 ALA HA H 41 4.222 4.112 0.110 1
1 539 . 19 1 1 A 44 44 ALA C C 41 178.069 178.319 -0.250 1
1 540 . 19 1 1 A 44 44 ALA CA C 41 54.148 54.153 -0.005 1
1 541 . 19 1 1 A 44 44 ALA CB C 41 18.606 18.290 0.316 1
1 542 . 19 1 1 A 44 44 ALA N N 41 119.773 122.721 -2.948 1
1 543 . 19 1 1 A 45 45 ASN H H 42 8.176 7.939 0.237 1
1 544 . 19 1 1 A 45 45 ASN HA H 42 5.046 4.818 0.228 1
1 549 . 19 1 1 A 45 45 ASN C C 42 174.521 175.731 -1.210 1
1 550 . 19 1 1 A 45 45 ASN CA C 42 51.495 53.325 -1.830 1
1 551 . 19 1 1 A 45 45 ASN CB C 42 38.853 39.314 -0.461 1
1 552 . 19 1 1 A 45 45 ASN N N 42 114.425 114.518 -0.093 1
1 554 . 19 1 1 A 46 46 LYS H H 43 7.524 7.379 0.145 1
1 555 . 19 1 1 A 46 46 LYS HA H 43 3.769 4.311 -0.542 1
1 564 . 19 1 1 A 46 46 LYS C C 43 176.143 175.837 0.306 1
1 565 . 19 1 1 A 46 46 LYS CA C 43 56.858 56.226 0.632 1
1 566 . 19 1 1 A 46 46 LYS CB C 43 33.232 32.617 0.615 1
1 570 . 19 1 1 A 46 46 LYS N N 43 122.393 120.588 1.805 1
1 571 . 19 1 1 A 47 47 LEU H H 44 7.982 8.579 -0.597 1
1 572 . 19 1 1 A 47 47 LEU HA H 44 4.374 4.342 0.032 1
1 582 . 19 1 1 A 47 47 LEU C C 44 176.143 177.970 -1.827 1
1 583 . 19 1 1 A 47 47 LEU CA C 44 53.746 54.552 -0.806 1
1 584 . 19 1 1 A 47 47 LEU CB C 44 41.951 41.971 -0.020 1
1 588 . 19 1 1 A 47 47 LEU N N 44 127.624 124.778 2.846 1
1 589 . 19 1 1 A 48 48 ARG H H 45 8.549 8.728 -0.179 1
1 590 . 19 1 1 A 48 48 ARG HA H 45 4.346 3.941 0.405 1
1 597 . 19 1 1 A 48 48 ARG CA C 45 55.800 59.122 -3.322 1
1 598 . 19 1 1 A 48 48 ARG CB C 45 31.263 30.002 1.261 1
1 601 . 19 1 1 A 48 48 ARG N N 45 125.873 122.889 2.984 1
1 602 . 19 1 1 A 49 49 GLY H H 46 8.800 7.954 0.846 1
1 603 . 19 1 1 A 49 49 GLY HA2 H 46 3.760 3.869 -0.109 1
1 604 . 19 1 1 A 49 49 GLY HA3 H 46 4.070 3.891 0.179 1
1 605 . 19 1 1 A 49 49 GLY C C 46 173.482 173.257 0.225 1
1 606 . 19 1 1 A 49 49 GLY CA C 46 45.326 45.141 0.185 1
1 607 . 19 1 1 A 49 49 GLY N N 46 111.980 107.594 4.386 1
1 608 . 19 1 1 A 50 50 MET H H 47 7.272 7.479 -0.207 1
1 609 . 19 1 1 A 50 50 MET HA H 47 4.921 4.900 0.021 1
1 617 . 19 1 1 A 50 50 MET CA C 47 52.049 52.935 -0.886 1
1 618 . 19 1 1 A 50 50 MET CB C 47 33.794 35.775 -1.981 1
1 621 . 19 1 1 A 50 50 MET N N 47 119.077 119.089 -0.012 1
1 622 . 19 1 1 A 51 51 PRO HA H 48 4.294 4.345 -0.051 1
1 629 . 19 1 1 A 51 51 PRO C C 48 176.460 177.310 -0.850 1
1 630 . 19 1 1 A 51 51 PRO CA C 48 63.879 65.792 -1.913 1
1 631 . 19 1 1 A 51 51 PRO CB C 48 31.825 31.615 0.210 1
1 634 . 19 1 1 A 52 52 ASP H H 49 8.661 7.909 0.752 1
1 635 . 19 1 1 A 52 52 ASP HA H 49 4.487 4.751 -0.264 1
1 638 . 19 1 1 A 52 52 ASP C C 49 174.065 174.981 -0.916 1
1 639 . 19 1 1 A 52 52 ASP CA C 49 56.042 53.106 2.936 1
1 640 . 19 1 1 A 52 52 ASP CB C 49 41.107 41.151 -0.044 1
1 641 . 19 1 1 A 52 52 ASP N N 49 116.477 115.569 0.908 1
1 642 . 19 1 1 A 53 53 CYS H H 50 7.575 7.086 0.489 1
1 643 . 19 1 1 A 53 53 CYS HA H 50 5.835 5.580 0.255 1
1 646 . 19 1 1 A 53 53 CYS C C 50 173.444 173.815 -0.371 1
1 647 . 19 1 1 A 53 53 CYS CA C 50 58.110 58.083 0.027 1
1 648 . 19 1 1 A 53 53 CYS CB C 50 30.700 29.813 0.887 1
1 649 . 19 1 1 A 53 53 CYS N N 50 114.414 119.831 -5.417 1
1 650 . 19 1 1 A 54 54 TYR H H 51 8.806 9.413 -0.607 1
1 651 . 19 1 1 A 54 54 TYR HA H 51 4.737 5.505 -0.768 1
1 658 . 19 1 1 A 54 54 TYR C C 51 172.950 174.154 -1.204 1
1 659 . 19 1 1 A 54 54 TYR CA C 51 56.066 56.263 -0.197 1
1 660 . 19 1 1 A 54 54 TYR CB C 51 42.794 43.332 -0.538 1
1 661 . 19 1 1 A 54 54 TYR N N 51 120.858 120.759 0.099 1
1 662 . 19 1 1 A 55 55 LYS H H 52 8.425 8.628 -0.203 1
1 663 . 19 1 1 A 55 55 LYS HA H 52 5.687 5.346 0.341 1
1 672 . 19 1 1 A 55 55 LYS C C 52 176.498 174.796 1.702 1
1 673 . 19 1 1 A 55 55 LYS CA C 52 53.291 54.284 -0.993 1
1 674 . 19 1 1 A 55 55 LYS CB C 52 36.325 36.249 0.076 1
1 678 . 19 1 1 A 55 55 LYS N N 52 115.794 118.131 -2.337 1
1 679 . 19 1 1 A 56 56 ILE H H 53 9.187 9.292 -0.105 1
1 680 . 19 1 1 A 56 56 ILE HA H 53 4.416 4.867 -0.451 1
1 690 . 19 1 1 A 56 56 ILE C C 53 174.572 175.753 -1.181 1
1 691 . 19 1 1 A 56 56 ILE CA C 53 60.971 59.786 1.185 1
1 692 . 19 1 1 A 56 56 ILE CB C 53 41.388 40.587 0.801 1
1 696 . 19 1 1 A 56 56 ILE N N 53 120.315 123.764 -3.449 1
1 697 . 19 1 1 A 57 57 LYS H H 54 8.755 9.144 -0.389 1
1 698 . 19 1 1 A 57 57 LYS HA H 54 5.043 5.102 -0.059 1
1 707 . 19 1 1 A 57 57 LYS C C 54 175.193 174.883 0.310 1
1 708 . 19 1 1 A 57 57 LYS CA C 54 54.359 54.757 -0.398 1
1 709 . 19 1 1 A 57 57 LYS CB C 54 35.482 35.453 0.029 1
1 713 . 19 1 1 A 57 57 LYS N N 54 125.616 124.138 1.478 1
1 714 . 19 1 1 A 58 58 LEU H H 55 8.449 9.285 -0.836 1
1 715 . 19 1 1 A 58 58 LEU HA H 55 4.796 4.856 -0.060 1
1 725 . 19 1 1 A 58 58 LEU CA C 55 53.201 53.800 -0.599 1
1 726 . 19 1 1 A 58 58 LEU CB C 55 41.669 43.128 -1.459 1
1 730 . 19 1 1 A 58 58 LEU N N 55 124.214 126.505 -2.291 1
1 731 . 19 1 1 A 59 59 ARG HA H 56 4.008 4.551 -0.543 1
1 738 . 19 1 1 A 59 59 ARG CA C 56 57.420 55.971 1.449 1
1 739 . 19 1 1 A 59 59 ARG CB C 56 29.575 29.911 -0.336 1
1 742 . 19 1 1 A 60 60 SER HA H 57 4.246 4.635 -0.389 1
1 745 . 19 1 1 A 60 60 SER CA C 57 59.798 59.302 0.496 1
1 746 . 19 1 1 A 60 60 SER CB C 57 63.045 65.849 -2.804 1
1 747 . 19 1 1 A 61 61 SER HA H 58 4.616 4.782 -0.166 1
1 750 . 19 1 1 A 61 61 SER C C 58 175.155 175.953 -0.798 1
1 751 . 19 1 1 A 61 61 SER CA C 58 58.010 58.199 -0.189 1
1 752 . 19 1 1 A 61 61 SER CB C 58 64.452 65.893 -1.441 1
1 753 . 19 1 1 A 62 62 GLY H H 59 8.217 8.254 -0.037 1
1 754 . 19 1 1 A 62 62 GLY HA2 H 59 3.926 3.845 0.081 1
1 755 . 19 1 1 A 62 62 GLY HA3 H 59 4.010 3.890 0.120 1
1 756 . 19 1 1 A 62 62 GLY C C 59 174.407 174.520 -0.113 1
1 757 . 19 1 1 A 62 62 GLY CA C 59 45.888 45.569 0.319 1
1 758 . 19 1 1 A 62 62 GLY N N 59 109.272 111.051 -1.779 1
1 759 . 19 1 1 A 63 63 TYR H H 60 7.463 8.120 -0.657 1
1 760 . 19 1 1 A 63 63 TYR HA H 60 4.629 4.555 0.074 1
1 767 . 19 1 1 A 63 63 TYR C C 60 175.117 175.122 -0.005 1
1 768 . 19 1 1 A 63 63 TYR CA C 60 59.857 58.197 1.660 1
1 769 . 19 1 1 A 63 63 TYR CB C 60 41.388 39.671 1.717 1
1 770 . 19 1 1 A 63 63 TYR N N 60 117.638 119.878 -2.240 1
1 771 . 19 1 1 A 64 64 ARG H H 61 9.261 9.213 0.048 1
1 772 . 19 1 1 A 64 64 ARG HA H 61 5.458 5.539 -0.081 1
1 779 . 19 1 1 A 64 64 ARG C C 61 173.596 174.730 -1.134 1
1 780 . 19 1 1 A 64 64 ARG CA C 61 53.880 54.360 -0.480 1
1 781 . 19 1 1 A 64 64 ARG CB C 61 34.357 34.012 0.345 1
1 784 . 19 1 1 A 64 64 ARG N N 61 119.605 121.060 -1.455 1
1 785 . 19 1 1 A 65 65 LEU H H 62 9.085 9.100 -0.015 1
1 786 . 19 1 1 A 65 65 LEU HA H 62 5.432 5.200 0.232 1
1 796 . 19 1 1 A 65 65 LEU C C 62 174.534 174.659 -0.125 1
1 797 . 19 1 1 A 65 65 LEU CA C 62 53.795 54.266 -0.471 1
1 798 . 19 1 1 A 65 65 LEU CB C 62 46.732 45.952 0.780 1
1 802 . 19 1 1 A 65 65 LEU N N 62 125.189 124.338 0.851 1
1 803 . 19 1 1 A 66 66 VAL H H 63 9.058 9.315 -0.257 1
1 804 . 19 1 1 A 66 66 VAL HA H 63 4.991 5.088 -0.097 1
1 812 . 19 1 1 A 66 66 VAL C C 63 174.699 175.167 -0.468 1
1 813 . 19 1 1 A 66 66 VAL CA C 63 60.795 60.806 -0.011 1
1 814 . 19 1 1 A 66 66 VAL CB C 63 34.075 33.151 0.924 1
1 817 . 19 1 1 A 66 66 VAL N N 63 125.140 126.737 -1.597 1
1 818 . 19 1 1 A 67 67 TYR H H 64 9.091 8.979 0.112 1
1 819 . 19 1 1 A 67 67 TYR HA H 64 5.659 5.620 0.039 1
1 826 . 19 1 1 A 67 67 TYR C C 64 170.910 172.949 -2.039 1
1 827 . 19 1 1 A 67 67 TYR CA C 64 54.286 55.267 -0.981 1
1 828 . 19 1 1 A 67 67 TYR CB C 64 41.951 42.194 -0.243 1
1 829 . 19 1 1 A 67 67 TYR N N 64 124.150 124.060 0.090 1
1 830 . 19 1 1 A 68 68 GLN H H 65 9.814 9.319 0.495 1
1 831 . 19 1 1 A 68 68 GLN HA H 65 5.510 5.574 -0.064 1
1 838 . 19 1 1 A 68 68 GLN C C 65 175.725 174.658 1.067 1
1 839 . 19 1 1 A 68 68 GLN CA C 65 53.092 54.515 -1.423 1
1 840 . 19 1 1 A 68 68 GLN CB C 65 32.600 32.077 0.523 1
1 842 . 19 1 1 A 68 68 GLN N N 65 123.050 119.135 3.915 1
1 844 . 19 1 1 A 69 69 VAL H H 66 9.198 9.094 0.104 1
1 845 . 19 1 1 A 69 69 VAL HA H 66 4.369 4.391 -0.022 1
1 853 . 19 1 1 A 69 69 VAL C C 66 175.357 175.326 0.031 1
1 854 . 19 1 1 A 69 69 VAL CA C 66 63.045 62.402 0.643 1
1 855 . 19 1 1 A 69 69 VAL CB C 66 32.669 32.010 0.659 1
1 858 . 19 1 1 A 69 69 VAL N N 66 127.343 123.789 3.554 1
1 859 . 19 1 1 A 70 70 ILE H H 67 9.241 9.364 -0.123 1
1 860 . 19 1 1 A 70 70 ILE HA H 67 4.471 4.450 0.021 1
1 870 . 19 1 1 A 70 70 ILE C C 67 177.081 176.054 1.027 1
1 871 . 19 1 1 A 70 70 ILE CA C 67 59.716 60.728 -1.012 1
1 872 . 19 1 1 A 70 70 ILE CB C 67 37.169 36.992 0.177 1
1 876 . 19 1 1 A 70 70 ILE N N 67 129.254 127.614 1.640 1
1 877 . 19 1 1 A 71 71 ASP H H 68 9.374 8.719 0.655 1
1 878 . 19 1 1 A 71 71 ASP HA H 68 4.574 4.486 0.088 1
1 881 . 19 1 1 A 71 71 ASP C C 68 179.868 178.220 1.648 1
1 882 . 19 1 1 A 71 71 ASP CA C 68 58.797 57.943 0.854 1
1 883 . 19 1 1 A 71 71 ASP CB C 68 40.544 40.663 -0.119 1
1 884 . 19 1 1 A 71 71 ASP N N 68 129.133 128.964 0.169 1
1 885 . 19 1 1 A 72 72 GLU H H 69 9.631 8.256 1.375 1
1 886 . 19 1 1 A 72 72 GLU HA H 69 4.088 4.095 -0.007 1
1 891 . 19 1 1 A 72 72 GLU C C 69 176.865 177.881 -1.016 1
1 892 . 19 1 1 A 72 72 GLU CA C 69 59.670 59.471 0.199 1
1 893 . 19 1 1 A 72 72 GLU CB C 69 29.100 29.645 -0.545 1
1 895 . 19 1 1 A 72 72 GLU N N 69 118.880 118.759 0.121 1
1 896 . 19 1 1 A 73 73 LYS H H 70 6.582 7.751 -1.169 1
1 897 . 19 1 1 A 73 73 LYS HA H 70 4.474 4.424 0.050 1
1 906 . 19 1 1 A 73 73 LYS C C 70 173.964 175.578 -1.614 1
1 907 . 19 1 1 A 73 73 LYS CA C 70 54.604 55.807 -1.203 1
1 908 . 19 1 1 A 73 73 LYS CB C 70 34.075 33.398 0.677 1
1 912 . 19 1 1 A 73 73 LYS N N 70 114.014 117.324 -3.310 1
1 913 . 19 1 1 A 74 74 VAL H H 71 7.791 7.822 -0.031 1
1 914 . 19 1 1 A 74 74 VAL HA H 71 2.948 3.658 -0.710 1
1 922 . 19 1 1 A 74 74 VAL C C 71 173.381 174.244 -0.863 1
1 923 . 19 1 1 A 74 74 VAL CA C 71 63.045 63.769 -0.724 1
1 924 . 19 1 1 A 74 74 VAL CB C 71 29.013 29.690 -0.677 1
1 927 . 19 1 1 A 74 74 VAL N N 71 119.301 116.600 2.701 1
1 928 . 19 1 1 A 75 75 VAL H H 72 7.736 7.848 -0.112 1
1 929 . 19 1 1 A 75 75 VAL HA H 72 5.159 5.054 0.105 1
1 937 . 19 1 1 A 75 75 VAL C C 72 175.028 173.947 1.081 1
1 938 . 19 1 1 A 75 75 VAL CA C 72 59.839 60.187 -0.348 1
1 939 . 19 1 1 A 75 75 VAL CB C 72 37.732 35.716 2.016 1
1 942 . 19 1 1 A 75 75 VAL N N 72 116.865 120.184 -3.319 1
1 943 . 19 1 1 A 76 76 VAL H H 73 9.006 9.256 -0.250 1
1 944 . 19 1 1 A 76 76 VAL HA H 73 4.190 4.598 -0.408 1
1 952 . 19 1 1 A 76 76 VAL C C 73 172.177 174.622 -2.445 1
1 953 . 19 1 1 A 76 76 VAL CA C 73 62.473 61.068 1.405 1
1 954 . 19 1 1 A 76 76 VAL CB C 73 32.388 32.305 0.083 1
1 957 . 19 1 1 A 76 76 VAL N N 73 128.675 128.132 0.543 1
1 958 . 19 1 1 A 77 77 PHE H H 74 9.468 9.317 0.151 1
1 959 . 19 1 1 A 77 77 PHE HA H 74 5.019 5.246 -0.227 1
1 966 . 19 1 1 A 77 77 PHE C C 74 174.420 173.949 0.471 1
1 967 . 19 1 1 A 77 77 PHE CA C 74 54.378 55.773 -1.395 1
1 968 . 19 1 1 A 77 77 PHE CB C 74 42.230 40.837 1.393 1
1 969 . 19 1 1 A 77 77 PHE N N 74 130.014 128.484 1.530 1
1 970 . 19 1 1 A 78 78 VAL H H 75 8.990 8.835 0.155 1
1 971 . 19 1 1 A 78 78 VAL HA H 75 3.645 3.968 -0.323 1
1 979 . 19 1 1 A 78 78 VAL C C 75 174.813 175.339 -0.526 1
1 980 . 19 1 1 A 78 78 VAL CA C 75 64.452 63.387 1.065 1
1 981 . 19 1 1 A 78 78 VAL CB C 75 31.009 30.969 0.040 1
1 984 . 19 1 1 A 78 78 VAL N N 75 128.474 127.242 1.232 1
1 985 . 19 1 1 A 79 79 ILE H H 76 8.679 9.257 -0.578 1
1 986 . 19 1 1 A 79 79 ILE HA H 76 4.171 4.121 0.050 1
1 996 . 19 1 1 A 79 79 ILE C C 76 176.092 175.841 0.251 1
1 997 . 19 1 1 A 79 79 ILE CA C 76 61.635 62.415 -0.780 1
1 998 . 19 1 1 A 79 79 ILE CB C 76 39.982 38.415 1.567 1
1 1002 . 19 1 1 A 79 79 ILE N N 76 122.334 128.793 -6.459 1
1 1003 . 19 1 1 A 80 80 SER H H 77 7.614 7.537 0.077 1
1 1004 . 19 1 1 A 80 80 SER HA H 77 4.724 4.849 -0.125 1
1 1007 . 19 1 1 A 80 80 SER C C 77 172.545 171.939 0.606 1
1 1008 . 19 1 1 A 80 80 SER CA C 77 57.849 57.523 0.326 1
1 1009 . 19 1 1 A 80 80 SER CB C 77 64.733 65.385 -0.652 1
1 1010 . 19 1 1 A 80 80 SER N N 77 113.369 112.420 0.949 1
1 1011 . 19 1 1 A 81 81 VAL H H 78 8.814 8.748 0.066 1
1 1012 . 19 1 1 A 81 81 VAL HA H 78 5.102 5.137 -0.035 1
1 1020 . 19 1 1 A 81 81 VAL C C 78 173.761 174.573 -0.812 1
1 1021 . 19 1 1 A 81 81 VAL CA C 78 61.004 59.818 1.186 1
1 1022 . 19 1 1 A 81 81 VAL CB C 78 34.638 36.058 -1.420 1
1 1025 . 19 1 1 A 81 81 VAL N N 78 123.792 123.325 0.467 1
1 1026 . 19 1 1 A 82 82 GLY H H 79 8.628 8.542 0.086 1
1 1027 . 19 1 1 A 82 82 GLY HA2 H 79 4.365 4.309 0.056 1
1 1028 . 19 1 1 A 82 82 GLY HA3 H 79 4.214 4.491 -0.277 1
1 1029 . 19 1 1 A 82 82 GLY C C 79 171.201 171.788 -0.587 1
1 1030 . 19 1 1 A 82 82 GLY CA C 79 45.606 45.203 0.403 1
1 1031 . 19 1 1 A 82 82 GLY N N 79 111.112 112.863 -1.751 1
1 1032 . 19 1 1 A 83 83 LYS H H 80 8.670 8.292 0.378 1
1 1033 . 19 1 1 A 83 83 LYS HA H 80 4.205 4.361 -0.156 1
1 1042 . 19 1 1 A 83 83 LYS C C 80 176.080 175.383 0.697 1
1 1043 . 19 1 1 A 83 83 LYS CA C 80 55.451 55.597 -0.146 1
1 1044 . 19 1 1 A 83 83 LYS CB C 80 32.665 33.454 -0.789 1
1 1048 . 19 1 1 A 83 83 LYS N N 80 120.943 121.649 -0.706 1
1 1049 . 19 1 1 A 84 84 ALA H H 81 8.049 8.158 -0.109 1
1 1050 . 19 1 1 A 84 84 ALA HA H 81 4.182 4.624 -0.442 1
1 1054 . 19 1 1 A 84 84 ALA C C 81 176.941 177.210 -0.269 1
1 1055 . 19 1 1 A 84 84 ALA CA C 81 52.248 50.809 1.439 1
1 1056 . 19 1 1 A 84 84 ALA CB C 81 19.450 20.270 -0.820 1
1 1057 . 19 1 1 A 84 84 ALA N N 81 125.262 125.439 -0.177 1
1 1058 . 19 1 1 A 85 85 GLU H H 82 8.460 8.732 -0.272 1
1 1059 . 19 1 1 A 85 85 GLU HA H 82 4.230 4.220 0.010 1
1 1064 . 19 1 1 A 85 85 GLU C C 82 176.599 176.684 -0.085 1
1 1065 . 19 1 1 A 85 85 GLU CA C 82 56.446 58.783 -2.337 1
1 1066 . 19 1 1 A 85 85 GLU CB C 82 29.853 30.750 -0.897 1
1 1068 . 19 1 1 A 85 85 GLU N N 82 119.296 124.143 -4.847 1
1 1069 . 19 1 1 A 86 86 ALA H H 83 8.403 7.744 0.659 1
1 1070 . 19 1 1 A 86 86 ALA HA H 83 4.149 4.261 -0.112 1
1 1074 . 19 1 1 A 86 86 ALA C C 83 177.777 177.610 0.167 1
1 1075 . 19 1 1 A 86 86 ALA CA C 83 53.448 52.850 0.598 1
1 1076 . 19 1 1 A 86 86 ALA CB C 83 18.887 19.793 -0.906 1
1 1077 . 19 1 1 A 86 86 ALA N N 83 124.833 118.940 5.893 1
1 1078 . 19 1 1 A 87 87 SER H H 84 8.301 8.152 0.149 1
1 1079 . 19 1 1 A 87 87 SER HA H 84 4.297 4.209 0.088 1
1 1082 . 19 1 1 A 87 87 SER C C 84 175.370 177.012 -1.642 1
1 1083 . 19 1 1 A 87 87 SER N N 84 113.395 114.028 -0.633 1
1 1084 . 19 1 1 A 88 88 GLU H H 85 8.271 8.050 0.221 1
1 1085 . 19 1 1 A 88 88 GLU HA H 85 4.239 4.009 0.230 1
1 1090 . 19 1 1 A 88 88 GLU C C 85 177.081 178.570 -1.489 1
1 1091 . 19 1 1 A 88 88 GLU CA C 85 57.140 59.148 -2.008 1
1 1092 . 19 1 1 A 88 88 GLU CB C 85 29.856 29.363 0.493 1
1 1094 . 19 1 1 A 88 88 GLU N N 85 122.554 121.692 0.862 1
1 1095 . 19 1 1 A 89 89 VAL H H 86 7.833 7.637 0.196 1
1 1096 . 19 1 1 A 89 89 VAL HA H 86 3.895 3.794 0.101 1
1 1104 . 19 1 1 A 89 89 VAL C C 86 177.172 177.912 -0.740 1
1 1105 . 19 1 1 A 89 89 VAL CA C 86 63.045 65.660 -2.615 1
1 1106 . 19 1 1 A 89 89 VAL CB C 86 32.107 31.366 0.741 1
1 1109 . 19 1 1 A 89 89 VAL N N 86 119.916 118.491 1.425 1
1 1110 . 19 1 1 A 90 90 TYR H H 87 8.142 7.731 0.411 1
1 1111 . 19 1 1 A 90 90 TYR HA H 87 4.479 4.231 0.248 1
1 1118 . 19 1 1 A 90 90 TYR C C 87 176.637 178.372 -1.735 1
1 1119 . 19 1 1 A 90 90 TYR CA C 87 58.545 60.794 -2.249 1
1 1120 . 19 1 1 A 90 90 TYR CB C 87 37.732 37.745 -0.013 1
1 1121 . 19 1 1 A 90 90 TYR N N 87 122.303 121.698 0.605 1
1 1122 . 19 1 1 A 91 91 SER H H 88 8.090 8.670 -0.580 1
1 1123 . 19 1 1 A 91 91 SER HA H 88 4.335 4.290 0.045 1
1 1126 . 19 1 1 A 91 91 SER C C 88 176.130 175.958 0.172 1
1 1127 . 19 1 1 A 91 91 SER CA C 88 59.899 61.637 -1.738 1
1 1128 . 19 1 1 A 91 91 SER CB C 88 62.483 62.904 -0.421 1
1 1129 . 19 1 1 A 91 91 SER N N 88 115.828 115.910 -0.082 1
1 1130 . 19 1 1 A 92 92 GLU H H 89 8.234 7.761 0.473 1
1 1131 . 19 1 1 A 92 92 GLU HA H 89 4.213 4.035 0.178 1
1 1136 . 19 1 1 A 92 92 GLU C C 89 177.600 178.333 -0.733 1
1 1137 . 19 1 1 A 92 92 GLU CA C 89 57.701 59.513 -1.812 1
1 1138 . 19 1 1 A 92 92 GLU CB C 89 29.575 29.505 0.070 1
1 1140 . 19 1 1 A 92 92 GLU N N 89 121.225 122.669 -1.444 1
1 1141 . 19 1 1 A 93 93 ALA H H 90 7.960 8.126 -0.166 1
1 1142 . 19 1 1 A 93 93 ALA HA H 90 4.025 4.138 -0.113 1
1 1146 . 19 1 1 A 93 93 ALA C C 90 178.550 179.908 -1.358 1
1 1147 . 19 1 1 A 93 93 ALA CA C 90 54.225 55.186 -0.961 1
1 1148 . 19 1 1 A 93 93 ALA CB C 90 18.325 18.810 -0.485 1
1 1149 . 19 1 1 A 93 93 ALA N N 90 122.055 122.060 -0.005 1
1 1150 . 19 1 1 A 94 94 VAL H H 91 7.799 8.233 -0.434 1
1 1151 . 19 1 1 A 94 94 VAL HA H 91 3.818 3.862 -0.044 1
1 1159 . 19 1 1 A 94 94 VAL CA C 91 64.167 65.149 -0.982 1
1 1160 . 19 1 1 A 94 94 VAL CB C 91 31.825 31.317 0.508 1
1 1163 . 19 1 1 A 94 94 VAL N N 91 115.727 116.865 -1.138 1
1 1164 . 19 1 1 A 95 95 LYS H H 92 7.764 7.894 -0.130 1
1 1165 . 19 1 1 A 95 95 LYS HA H 92 4.197 4.263 -0.066 1
1 1174 . 19 1 1 A 95 95 LYS C C 92 177.600 177.816 -0.216 1
1 1175 . 19 1 1 A 95 95 LYS CA C 92 57.139 58.530 -1.391 1
1 1176 . 19 1 1 A 95 95 LYS CB C 92 32.600 32.218 0.382 1
1 1180 . 19 1 1 A 95 95 LYS N N 92 120.823 121.831 -1.008 1
1 1181 . 19 1 1 A 96 96 ARG H H 93 7.970 7.697 0.273 1
1 1182 . 19 1 1 A 96 96 ARG HA H 93 4.341 4.305 0.036 1
1 1189 . 19 1 1 A 96 96 ARG C C 93 179.703 175.518 4.185 1
1 1190 . 19 1 1 A 96 96 ARG CA C 93 56.295 57.328 -1.033 1
1 1191 . 19 1 1 A 96 96 ARG CB C 93 31.400 30.771 0.629 1
1 1194 . 19 1 1 A 96 96 ARG N N 93 119.070 116.819 2.251 1
1 1195 . 19 1 1 A 97 97 ILE H H 94 8.012 7.779 0.233 1
1 1196 . 19 1 1 A 97 97 ILE HA H 94 4.216 4.661 -0.445 1
1 1206 . 19 1 1 A 97 97 ILE C C 94 175.509 174.766 0.743 1
1 1207 . 19 1 1 A 97 97 ILE CA C 94 61.362 60.969 0.393 1
1 1208 . 19 1 1 A 97 97 ILE CB C 94 38.576 39.287 -0.711 1
1 1212 . 19 1 1 A 97 97 ILE N N 94 120.512 120.238 0.274 1
1 16 . 20 1 1 A 5 5 ALA H H 2 8.084 8.470 -0.386 1
1 17 . 20 1 1 A 5 5 ALA HA H 2 4.423 5.482 -1.059 1
1 21 . 20 1 1 A 5 5 ALA C C 2 176.536 175.429 1.107 1
1 22 . 20 1 1 A 5 5 ALA CA C 2 51.634 50.102 1.532 1
1 23 . 20 1 1 A 5 5 ALA CB C 2 19.439 23.650 -4.211 1
1 24 . 20 1 1 A 5 5 ALA N N 2 125.284 124.008 1.276 1
1 25 . 20 1 1 A 6 6 TYR H H 3 8.406 8.605 -0.199 1
1 26 . 20 1 1 A 6 6 TYR HA H 3 4.312 4.867 -0.555 1
1 33 . 20 1 1 A 6 6 TYR C C 3 175.433 175.295 0.138 1
1 34 . 20 1 1 A 6 6 TYR CA C 3 57.701 56.311 1.390 1
1 35 . 20 1 1 A 6 6 TYR CB C 3 39.701 42.219 -2.518 1
1 36 . 20 1 1 A 6 6 TYR N N 3 120.887 116.860 4.027 1
1 37 . 20 1 1 A 7 7 PHE H H 4 8.703 9.473 -0.770 1
1 38 . 20 1 1 A 7 7 PHE HA H 4 4.645 4.842 -0.197 1
1 45 . 20 1 1 A 7 7 PHE C C 4 173.812 174.853 -1.041 1
1 46 . 20 1 1 A 7 7 PHE CA C 4 56.853 57.707 -0.854 1
1 47 . 20 1 1 A 7 7 PHE CB C 4 40.541 40.710 -0.169 1
1 48 . 20 1 1 A 7 7 PHE N N 4 119.295 120.196 -0.901 1
1 49 . 20 1 1 A 8 8 LEU H H 5 8.255 8.679 -0.424 1
1 50 . 20 1 1 A 8 8 LEU HA H 5 4.985 5.021 -0.036 1
1 60 . 20 1 1 A 8 8 LEU C C 5 174.927 174.172 0.755 1
1 61 . 20 1 1 A 8 8 LEU CA C 5 53.544 53.565 -0.021 1
1 62 . 20 1 1 A 8 8 LEU CB C 5 44.201 45.402 -1.201 1
1 66 . 20 1 1 A 8 8 LEU N N 5 124.516 122.697 1.819 1
1 67 . 20 1 1 A 9 9 ASP H H 6 9.047 8.951 0.096 1
1 68 . 20 1 1 A 9 9 ASP HA H 6 5.089 5.295 -0.206 1
1 71 . 20 1 1 A 9 9 ASP C C 6 173.216 173.722 -0.506 1
1 72 . 20 1 1 A 9 9 ASP CA C 6 52.278 52.559 -0.281 1
1 73 . 20 1 1 A 9 9 ASP CB C 6 45.326 45.293 0.033 1
1 74 . 20 1 1 A 9 9 ASP N N 6 126.171 125.307 0.864 1
1 75 . 20 1 1 A 10 10 PHE H H 7 8.891 8.603 0.288 1
1 76 . 20 1 1 A 10 10 PHE HA H 7 4.545 4.597 -0.052 1
1 83 . 20 1 1 A 10 10 PHE C C 7 175.218 174.238 0.980 1
1 84 . 20 1 1 A 10 10 PHE CA C 7 56.243 56.384 -0.141 1
1 85 . 20 1 1 A 10 10 PHE CB C 7 43.638 42.436 1.202 1
1 86 . 20 1 1 A 10 10 PHE N N 7 119.178 119.594 -0.416 1
1 87 . 20 1 1 A 11 11 ASP H H 8 8.124 8.467 -0.343 1
1 88 . 20 1 1 A 11 11 ASP HA H 8 4.551 4.453 0.098 1
1 91 . 20 1 1 A 11 11 ASP C C 8 177.157 177.443 -0.286 1
1 92 . 20 1 1 A 11 11 ASP CA C 8 54.315 54.346 -0.031 1
1 93 . 20 1 1 A 11 11 ASP CB C 8 44.201 42.794 1.407 1
1 94 . 20 1 1 A 11 11 ASP N N 8 123.305 123.817 -0.512 1
1 95 . 20 1 1 A 12 12 GLU H H 9 9.197 9.033 0.164 1
1 96 . 20 1 1 A 12 12 GLU HA H 9 4.016 4.068 -0.052 1
1 101 . 20 1 1 A 12 12 GLU C C 9 178.880 178.721 0.159 1
1 102 . 20 1 1 A 12 12 GLU CA C 9 60.365 59.509 0.856 1
1 103 . 20 1 1 A 12 12 GLU CB C 9 29.670 29.204 0.466 1
1 105 . 20 1 1 A 12 12 GLU N N 9 127.082 123.323 3.759 1
1 106 . 20 1 1 A 13 13 ARG H H 10 8.949 8.294 0.655 1
1 107 . 20 1 1 A 13 13 ARG HA H 10 4.097 4.063 0.034 1
1 114 . 20 1 1 A 13 13 ARG C C 10 179.273 179.102 0.171 1
1 115 . 20 1 1 A 13 13 ARG CA C 10 58.924 58.885 0.039 1
1 116 . 20 1 1 A 13 13 ARG CB C 10 30.138 30.204 -0.066 1
1 119 . 20 1 1 A 13 13 ARG N N 10 119.265 119.885 -0.620 1
1 120 . 20 1 1 A 14 14 ALA H H 11 7.451 8.124 -0.673 1
1 121 . 20 1 1 A 14 14 ALA HA H 11 4.685 4.171 0.514 1
1 125 . 20 1 1 A 14 14 ALA C C 11 179.564 179.721 -0.157 1
1 126 . 20 1 1 A 14 14 ALA CA C 11 53.705 54.988 -1.283 1
1 127 . 20 1 1 A 14 14 ALA CB C 11 18.325 18.505 -0.180 1
1 128 . 20 1 1 A 14 14 ALA N N 11 122.421 121.715 0.706 1
1 129 . 20 1 1 A 15 15 LEU H H 12 8.683 8.187 0.496 1
1 130 . 20 1 1 A 15 15 LEU HA H 12 3.877 3.921 -0.044 1
1 140 . 20 1 1 A 15 15 LEU C C 12 178.550 178.907 -0.357 1
1 141 . 20 1 1 A 15 15 LEU CA C 12 57.139 56.926 0.213 1
1 142 . 20 1 1 A 15 15 LEU CB C 12 41.103 41.837 -0.734 1
1 146 . 20 1 1 A 15 15 LEU N N 12 120.118 120.358 -0.240 1
1 147 . 20 1 1 A 16 16 LYS H H 13 7.345 7.762 -0.417 1
1 148 . 20 1 1 A 16 16 LYS HA H 13 3.995 3.950 0.045 1
1 157 . 20 1 1 A 16 16 LYS C C 13 179.678 179.851 -0.173 1
1 158 . 20 1 1 A 16 16 LYS CA C 13 59.700 60.370 -0.670 1
1 159 . 20 1 1 A 16 16 LYS CB C 13 32.388 31.975 0.413 1
1 163 . 20 1 1 A 16 16 LYS N N 13 117.725 119.576 -1.851 1
1 164 . 20 1 1 A 17 17 GLU H H 14 7.453 7.987 -0.534 1
1 165 . 20 1 1 A 17 17 GLU HA H 14 4.016 4.111 -0.095 1
1 170 . 20 1 1 A 17 17 GLU C C 14 179.589 179.129 0.460 1
1 171 . 20 1 1 A 17 17 GLU CA C 14 58.841 59.069 -0.228 1
1 172 . 20 1 1 A 17 17 GLU CB C 14 29.298 29.519 -0.221 1
1 174 . 20 1 1 A 17 17 GLU N N 14 118.019 119.707 -1.688 1
1 175 . 20 1 1 A 18 18 TRP H H 15 9.081 8.476 0.605 1
1 176 . 20 1 1 A 18 18 TRP HA H 15 4.174 4.133 0.041 1
1 183 . 20 1 1 A 18 18 TRP C C 15 178.360 178.604 -0.244 1
1 184 . 20 1 1 A 18 18 TRP CA C 15 59.938 60.854 -0.916 1
1 185 . 20 1 1 A 18 18 TRP CB C 15 30.241 29.630 0.611 1
1 186 . 20 1 1 A 18 18 TRP N N 15 122.628 121.736 0.892 1
1 188 . 20 1 1 A 19 19 ARG H H 16 8.197 7.948 0.249 1
1 189 . 20 1 1 A 19 19 ARG HA H 16 3.863 3.986 -0.123 1
1 196 . 20 1 1 A 19 19 ARG C C 16 177.030 178.911 -1.881 1
1 197 . 20 1 1 A 19 19 ARG CA C 16 58.516 58.987 -0.471 1
1 198 . 20 1 1 A 19 19 ARG CB C 16 30.300 29.598 0.702 1
1 201 . 20 1 1 A 19 19 ARG N N 16 115.582 118.648 -3.066 1
1 202 . 20 1 1 A 20 20 LYS H H 17 7.308 7.955 -0.647 1
1 203 . 20 1 1 A 20 20 LYS HA H 17 4.238 4.048 0.190 1
1 212 . 20 1 1 A 20 20 LYS C C 17 177.043 177.226 -0.183 1
1 213 . 20 1 1 A 20 20 LYS CA C 17 56.270 58.706 -2.436 1
1 214 . 20 1 1 A 20 20 LYS CB C 17 32.300 32.090 0.210 1
1 218 . 20 1 1 A 20 20 LYS N N 17 116.689 120.221 -3.532 1
1 219 . 20 1 1 A 21 21 LEU H H 18 6.998 7.433 -0.435 1
1 220 . 20 1 1 A 21 21 LEU HA H 18 4.026 4.052 -0.026 1
1 230 . 20 1 1 A 21 21 LEU C C 18 177.676 177.276 0.400 1
1 231 . 20 1 1 A 21 21 LEU CA C 18 54.567 55.216 -0.649 1
1 232 . 20 1 1 A 21 21 LEU CB C 18 43.357 42.095 1.262 1
1 236 . 20 1 1 A 21 21 LEU N N 18 118.778 121.280 -2.502 1
1 237 . 20 1 1 A 22 22 GLY H H 19 8.370 8.281 0.089 1
1 238 . 20 1 1 A 22 22 GLY HA2 H 19 4.064 3.941 0.123 1
1 239 . 20 1 1 A 22 22 GLY HA3 H 19 3.845 3.949 -0.104 1
1 240 . 20 1 1 A 22 22 GLY C C 19 174.813 174.802 0.011 1
1 241 . 20 1 1 A 22 22 GLY CA C 19 45.045 45.166 -0.121 1
1 242 . 20 1 1 A 22 22 GLY N N 19 107.490 109.764 -2.274 1
1 243 . 20 1 1 A 23 23 SER H H 20 8.675 8.923 -0.248 1
1 244 . 20 1 1 A 23 23 SER HA H 20 4.288 3.986 0.302 1
1 247 . 20 1 1 A 23 23 SER CA C 20 58.981 61.588 -2.607 1
1 248 . 20 1 1 A 23 23 SER CB C 20 63.045 62.430 0.615 1
1 249 . 20 1 1 A 23 23 SER N N 20 117.877 117.422 0.455 1
1 250 . 20 1 1 A 24 24 THR H H 21 8.216 8.050 0.166 1
1 251 . 20 1 1 A 24 24 THR HA H 21 3.983 3.956 0.027 1
1 256 . 20 1 1 A 24 24 THR C C 21 176.510 176.806 -0.296 1
1 257 . 20 1 1 A 24 24 THR CA C 21 65.858 66.728 -0.870 1
1 258 . 20 1 1 A 24 24 THR CB C 21 67.941 68.140 -0.199 1
1 260 . 20 1 1 A 24 24 THR N N 21 115.680 116.211 -0.531 1
1 261 . 20 1 1 A 25 25 VAL H H 22 7.143 7.903 -0.760 1
1 262 . 20 1 1 A 25 25 VAL HA H 22 3.545 3.429 0.116 1
1 270 . 20 1 1 A 25 25 VAL C C 22 177.613 177.669 -0.056 1
1 271 . 20 1 1 A 25 25 VAL CA C 22 65.577 66.744 -1.167 1
1 272 . 20 1 1 A 25 25 VAL CB C 22 31.544 31.241 0.303 1
1 275 . 20 1 1 A 25 25 VAL N N 22 122.443 121.655 0.788 1
1 276 . 20 1 1 A 26 26 ARG H H 23 7.840 8.157 -0.317 1
1 277 . 20 1 1 A 26 26 ARG HA H 23 3.156 3.814 -0.658 1
1 284 . 20 1 1 A 26 26 ARG C C 23 177.790 178.371 -0.581 1
1 285 . 20 1 1 A 26 26 ARG CA C 23 59.951 58.543 1.408 1
1 286 . 20 1 1 A 26 26 ARG CB C 23 29.590 29.024 0.566 1
1 289 . 20 1 1 A 26 26 ARG N N 23 119.146 119.861 -0.715 1
1 290 . 20 1 1 A 27 27 GLU H H 24 8.159 8.668 -0.509 1
1 291 . 20 1 1 A 27 27 GLU HA H 24 3.970 4.109 -0.139 1
1 296 . 20 1 1 A 27 27 GLU C C 24 179.577 179.471 0.106 1
1 297 . 20 1 1 A 27 27 GLU CA C 24 59.400 59.108 0.292 1
1 298 . 20 1 1 A 27 27 GLU CB C 24 29.013 29.324 -0.311 1
1 300 . 20 1 1 A 27 27 GLU N N 24 116.672 118.645 -1.973 1
1 301 . 20 1 1 A 28 28 GLN H H 25 7.693 7.645 0.048 1
1 302 . 20 1 1 A 28 28 GLN HA H 25 4.094 4.061 0.033 1
1 309 . 20 1 1 A 28 28 GLN C C 25 179.919 179.707 0.212 1
1 310 . 20 1 1 A 28 28 GLN CA C 25 59.108 58.876 0.232 1
1 311 . 20 1 1 A 28 28 GLN CB C 25 29.575 28.368 1.207 1
1 313 . 20 1 1 A 28 28 GLN N N 25 118.482 118.749 -0.267 1
1 315 . 20 1 1 A 29 29 LEU H H 26 8.441 8.248 0.193 1
1 316 . 20 1 1 A 29 29 LEU HA H 26 4.096 4.131 -0.035 1
1 326 . 20 1 1 A 29 29 LEU C C 26 178.804 179.537 -0.733 1
1 327 . 20 1 1 A 29 29 LEU CA C 26 57.983 58.102 -0.119 1
1 328 . 20 1 1 A 29 29 LEU CB C 26 42.513 41.394 1.119 1
1 332 . 20 1 1 A 29 29 LEU N N 26 119.907 120.447 -0.540 1
1 333 . 20 1 1 A 30 30 LYS H H 27 9.233 8.868 0.365 1
1 334 . 20 1 1 A 30 30 LYS HA H 27 4.076 4.163 -0.087 1
1 343 . 20 1 1 A 30 30 LYS C C 27 178.056 178.675 -0.619 1
1 344 . 20 1 1 A 30 30 LYS CA C 27 60.233 59.801 0.432 1
1 345 . 20 1 1 A 30 30 LYS CB C 27 32.103 32.614 -0.511 1
1 349 . 20 1 1 A 30 30 LYS N N 27 120.508 120.495 0.013 1
1 350 . 20 1 1 A 31 31 LYS H H 28 7.698 7.939 -0.241 1
1 351 . 20 1 1 A 31 31 LYS HA H 28 4.056 4.089 -0.033 1
1 360 . 20 1 1 A 31 31 LYS C C 28 179.539 179.784 -0.245 1
1 361 . 20 1 1 A 31 31 LYS CA C 28 59.596 59.834 -0.238 1
1 362 . 20 1 1 A 31 31 LYS CB C 28 32.400 32.101 0.299 1
1 366 . 20 1 1 A 31 31 LYS N N 28 117.412 117.941 -0.529 1
1 367 . 20 1 1 A 32 32 LYS H H 29 7.347 7.610 -0.263 1
1 368 . 20 1 1 A 32 32 LYS HA H 29 4.230 4.063 0.167 1
1 377 . 20 1 1 A 32 32 LYS C C 29 179.057 179.504 -0.447 1
1 378 . 20 1 1 A 32 32 LYS CA C 29 57.553 59.331 -1.778 1
1 379 . 20 1 1 A 32 32 LYS CB C 29 32.103 32.177 -0.074 1
1 383 . 20 1 1 A 32 32 LYS N N 29 116.983 120.569 -3.586 1
1 384 . 20 1 1 A 33 33 LEU H H 30 8.663 8.401 0.262 1
1 385 . 20 1 1 A 33 33 LEU HA H 30 3.844 4.026 -0.182 1
1 395 . 20 1 1 A 33 33 LEU C C 30 177.765 179.182 -1.417 1
1 396 . 20 1 1 A 33 33 LEU CA C 30 57.420 58.119 -0.699 1
1 397 . 20 1 1 A 33 33 LEU CB C 30 42.513 42.027 0.486 1
1 401 . 20 1 1 A 33 33 LEU N N 30 121.134 120.653 0.481 1
1 402 . 20 1 1 A 34 34 VAL H H 31 8.185 8.639 -0.454 1
1 403 . 20 1 1 A 34 34 VAL HA H 31 3.548 3.740 -0.192 1
1 411 . 20 1 1 A 34 34 VAL C C 31 178.639 177.443 1.196 1
1 412 . 20 1 1 A 34 34 VAL CA C 31 66.702 65.112 1.590 1
1 413 . 20 1 1 A 34 34 VAL CB C 31 31.544 31.188 0.356 1
1 416 . 20 1 1 A 34 34 VAL N N 31 117.076 119.452 -2.376 1
1 417 . 20 1 1 A 35 35 GLU H H 32 7.143 8.317 -1.174 1
1 418 . 20 1 1 A 35 35 GLU HA H 32 4.093 4.088 0.005 1
1 423 . 20 1 1 A 35 35 GLU C C 32 179.450 178.646 0.804 1
1 424 . 20 1 1 A 35 35 GLU CA C 32 58.264 59.111 -0.847 1
1 425 . 20 1 1 A 35 35 GLU CB C 32 29.575 29.226 0.349 1
1 427 . 20 1 1 A 35 35 GLU N N 32 117.290 119.856 -2.566 1
1 428 . 20 1 1 A 36 36 VAL H H 33 7.659 8.351 -0.692 1
1 429 . 20 1 1 A 36 36 VAL HA H 33 3.774 3.839 -0.065 1
1 437 . 20 1 1 A 36 36 VAL C C 33 176.929 177.652 -0.723 1
1 438 . 20 1 1 A 36 36 VAL CA C 33 63.889 65.153 -1.264 1
1 439 . 20 1 1 A 36 36 VAL CB C 33 31.825 31.204 0.621 1
1 442 . 20 1 1 A 36 36 VAL N N 33 118.056 119.706 -1.650 1
1 443 . 20 1 1 A 37 37 LEU H H 34 7.679 7.966 -0.287 1
1 444 . 20 1 1 A 37 37 LEU HA H 34 3.619 3.909 -0.290 1
1 454 . 20 1 1 A 37 37 LEU C C 34 177.968 179.557 -1.589 1
1 455 . 20 1 1 A 37 37 LEU CA C 34 57.420 57.202 0.218 1
1 456 . 20 1 1 A 37 37 LEU CB C 34 40.263 41.326 -1.063 1
1 460 . 20 1 1 A 37 37 LEU N N 34 116.847 121.122 -4.275 1
1 461 . 20 1 1 A 38 38 GLU H H 35 7.238 8.724 -1.486 1
1 462 . 20 1 1 A 38 38 GLU HA H 35 4.295 4.250 0.045 1
1 467 . 20 1 1 A 38 38 GLU C C 35 177.853 176.805 1.048 1
1 468 . 20 1 1 A 38 38 GLU CA C 35 57.900 58.446 -0.546 1
1 469 . 20 1 1 A 38 38 GLU CB C 35 30.138 28.628 1.510 1
1 471 . 20 1 1 A 38 38 GLU N N 35 113.881 117.410 -3.529 1
1 472 . 20 1 1 A 39 39 SER H H 36 7.101 8.076 -0.975 1
1 473 . 20 1 1 A 39 39 SER HA H 36 4.518 4.976 -0.458 1
1 476 . 20 1 1 A 39 39 SER CA C 36 55.553 55.593 -0.040 1
1 477 . 20 1 1 A 39 39 SER CB C 36 61.920 63.220 -1.300 1
1 478 . 20 1 1 A 39 39 SER N N 36 109.128 115.556 -6.428 1
1 479 . 20 1 1 A 40 40 PRO HA H 37 4.363 4.278 0.085 1
1 486 . 20 1 1 A 40 40 PRO C C 37 177.879 176.939 0.940 1
1 487 . 20 1 1 A 40 40 PRO CA C 37 64.705 63.679 1.026 1
1 488 . 20 1 1 A 40 40 PRO CB C 37 32.669 31.891 0.778 1
1 491 . 20 1 1 A 41 41 ARG H H 38 8.299 8.181 0.118 1
1 492 . 20 1 1 A 41 41 ARG HA H 38 3.183 4.419 -1.236 1
1 499 . 20 1 1 A 41 41 ARG C C 38 174.217 175.864 -1.647 1
1 500 . 20 1 1 A 41 41 ARG CA C 38 56.014 56.050 -0.036 1
1 501 . 20 1 1 A 41 41 ARG CB C 38 29.571 29.853 -0.282 1
1 504 . 20 1 1 A 41 41 ARG N N 38 121.121 115.792 5.329 1
1 505 . 20 1 1 A 42 42 ILE H H 39 5.995 7.395 -1.400 1
1 506 . 20 1 1 A 42 42 ILE HA H 39 4.177 4.316 -0.139 1
1 516 . 20 1 1 A 42 42 ILE C C 39 176.295 177.361 -1.066 1
1 517 . 20 1 1 A 42 42 ILE CA C 39 59.389 61.359 -1.970 1
1 518 . 20 1 1 A 42 42 ILE CB C 39 39.138 36.737 2.401 1
1 522 . 20 1 1 A 42 42 ILE N N 39 128.247 122.363 5.884 1
1 523 . 20 1 1 A 43 43 GLU H H 40 8.893 8.899 -0.006 1
1 524 . 20 1 1 A 43 43 GLU HA H 40 4.174 4.209 -0.035 1
1 529 . 20 1 1 A 43 43 GLU C C 40 178.918 178.240 0.678 1
1 530 . 20 1 1 A 43 43 GLU CA C 40 60.336 58.564 1.772 1
1 531 . 20 1 1 A 43 43 GLU CB C 40 29.100 29.193 -0.093 1
1 533 . 20 1 1 A 43 43 GLU N N 40 130.055 127.775 2.280 1
1 534 . 20 1 1 A 44 44 ALA H H 41 8.851 7.833 1.018 1
1 535 . 20 1 1 A 44 44 ALA HA H 41 4.222 4.115 0.107 1
1 539 . 20 1 1 A 44 44 ALA C C 41 178.069 178.488 -0.419 1
1 540 . 20 1 1 A 44 44 ALA CA C 41 54.148 54.285 -0.137 1
1 541 . 20 1 1 A 44 44 ALA CB C 41 18.606 18.231 0.375 1
1 542 . 20 1 1 A 44 44 ALA N N 41 119.773 123.851 -4.078 1
1 543 . 20 1 1 A 45 45 ASN H H 42 8.176 7.988 0.188 1
1 544 . 20 1 1 A 45 45 ASN HA H 42 5.046 4.792 0.254 1
1 549 . 20 1 1 A 45 45 ASN C C 42 174.521 175.374 -0.853 1
1 550 . 20 1 1 A 45 45 ASN CA C 42 51.495 53.122 -1.627 1
1 551 . 20 1 1 A 45 45 ASN CB C 42 38.853 39.292 -0.439 1
1 552 . 20 1 1 A 45 45 ASN N N 42 114.425 114.275 0.150 1
1 554 . 20 1 1 A 46 46 LYS H H 43 7.524 7.508 0.016 1
1 555 . 20 1 1 A 46 46 LYS HA H 43 3.769 3.903 -0.134 1
1 564 . 20 1 1 A 46 46 LYS C C 43 176.143 175.756 0.387 1
1 565 . 20 1 1 A 46 46 LYS CA C 43 56.858 56.499 0.359 1
1 566 . 20 1 1 A 46 46 LYS CB C 43 33.232 32.766 0.466 1
1 570 . 20 1 1 A 46 46 LYS N N 43 122.393 121.635 0.758 1
1 571 . 20 1 1 A 47 47 LEU H H 44 7.982 8.580 -0.598 1
1 572 . 20 1 1 A 47 47 LEU HA H 44 4.374 4.758 -0.384 1
1 582 . 20 1 1 A 47 47 LEU C C 44 176.143 176.341 -0.198 1
1 583 . 20 1 1 A 47 47 LEU CA C 44 53.746 53.479 0.267 1
1 584 . 20 1 1 A 47 47 LEU CB C 44 41.951 42.996 -1.045 1
1 588 . 20 1 1 A 47 47 LEU N N 44 127.624 123.424 4.200 1
1 589 . 20 1 1 A 48 48 ARG H H 45 8.549 8.714 -0.165 1
1 590 . 20 1 1 A 48 48 ARG HA H 45 4.346 4.137 0.209 1
1 597 . 20 1 1 A 48 48 ARG CA C 45 55.800 57.596 -1.796 1
1 598 . 20 1 1 A 48 48 ARG CB C 45 31.263 30.003 1.260 1
1 601 . 20 1 1 A 48 48 ARG N N 45 125.873 123.769 2.104 1
1 602 . 20 1 1 A 49 49 GLY H H 46 8.800 8.732 0.068 1
1 603 . 20 1 1 A 49 49 GLY HA2 H 46 3.760 3.942 -0.182 1
1 604 . 20 1 1 A 49 49 GLY HA3 H 46 4.070 3.945 0.125 1
1 605 . 20 1 1 A 49 49 GLY C C 46 173.482 173.571 -0.089 1
1 606 . 20 1 1 A 49 49 GLY CA C 46 45.326 45.476 -0.150 1
1 607 . 20 1 1 A 49 49 GLY N N 46 111.980 112.152 -0.172 1
1 608 . 20 1 1 A 50 50 MET H H 47 7.272 7.852 -0.580 1
1 609 . 20 1 1 A 50 50 MET HA H 47 4.921 4.869 0.052 1
1 617 . 20 1 1 A 50 50 MET CA C 47 52.049 52.666 -0.617 1
1 618 . 20 1 1 A 50 50 MET CB C 47 33.794 34.468 -0.674 1
1 621 . 20 1 1 A 50 50 MET N N 47 119.077 120.475 -1.398 1
1 622 . 20 1 1 A 51 51 PRO HA H 48 4.294 4.551 -0.257 1
1 629 . 20 1 1 A 51 51 PRO C C 48 176.460 176.769 -0.309 1
1 630 . 20 1 1 A 51 51 PRO CA C 48 63.879 63.161 0.718 1
1 631 . 20 1 1 A 51 51 PRO CB C 48 31.825 31.157 0.668 1
1 634 . 20 1 1 A 52 52 ASP H H 49 8.661 8.275 0.386 1
1 635 . 20 1 1 A 52 52 ASP HA H 49 4.487 3.956 0.531 1
1 638 . 20 1 1 A 52 52 ASP C C 49 174.065 174.697 -0.632 1
1 639 . 20 1 1 A 52 52 ASP CA C 49 56.042 54.823 1.219 1
1 640 . 20 1 1 A 52 52 ASP CB C 49 41.107 39.434 1.673 1
1 641 . 20 1 1 A 52 52 ASP N N 49 116.477 116.532 -0.055 1
1 642 . 20 1 1 A 53 53 CYS H H 50 7.575 7.472 0.103 1
1 643 . 20 1 1 A 53 53 CYS HA H 50 5.835 5.401 0.434 1
1 646 . 20 1 1 A 53 53 CYS C C 50 173.444 173.173 0.271 1
1 647 . 20 1 1 A 53 53 CYS CA C 50 58.110 57.647 0.463 1
1 648 . 20 1 1 A 53 53 CYS CB C 50 30.700 31.160 -0.460 1
1 649 . 20 1 1 A 53 53 CYS N N 50 114.414 116.900 -2.486 1
1 650 . 20 1 1 A 54 54 TYR H H 51 8.806 9.237 -0.431 1
1 651 . 20 1 1 A 54 54 TYR HA H 51 4.737 5.221 -0.484 1
1 658 . 20 1 1 A 54 54 TYR C C 51 172.950 174.198 -1.248 1
1 659 . 20 1 1 A 54 54 TYR CA C 51 56.066 56.192 -0.126 1
1 660 . 20 1 1 A 54 54 TYR CB C 51 42.794 43.140 -0.346 1
1 661 . 20 1 1 A 54 54 TYR N N 51 120.858 120.933 -0.075 1
1 662 . 20 1 1 A 55 55 LYS H H 52 8.425 8.729 -0.304 1
1 663 . 20 1 1 A 55 55 LYS HA H 52 5.687 5.220 0.467 1
1 672 . 20 1 1 A 55 55 LYS C C 52 176.498 174.716 1.782 1
1 673 . 20 1 1 A 55 55 LYS CA C 52 53.291 54.359 -1.068 1
1 674 . 20 1 1 A 55 55 LYS CB C 52 36.325 36.132 0.193 1
1 678 . 20 1 1 A 55 55 LYS N N 52 115.794 117.976 -2.182 1
1 679 . 20 1 1 A 56 56 ILE H H 53 9.187 9.304 -0.117 1
1 680 . 20 1 1 A 56 56 ILE HA H 53 4.416 4.935 -0.519 1
1 690 . 20 1 1 A 56 56 ILE C C 53 174.572 175.553 -0.981 1
1 691 . 20 1 1 A 56 56 ILE CA C 53 60.971 59.757 1.214 1
1 692 . 20 1 1 A 56 56 ILE CB C 53 41.388 40.346 1.042 1
1 696 . 20 1 1 A 56 56 ILE N N 53 120.315 123.862 -3.547 1
1 697 . 20 1 1 A 57 57 LYS H H 54 8.755 9.160 -0.405 1
1 698 . 20 1 1 A 57 57 LYS HA H 54 5.043 5.104 -0.061 1
1 707 . 20 1 1 A 57 57 LYS C C 54 175.193 174.922 0.271 1
1 708 . 20 1 1 A 57 57 LYS CA C 54 54.359 54.516 -0.157 1
1 709 . 20 1 1 A 57 57 LYS CB C 54 35.482 35.746 -0.264 1
1 713 . 20 1 1 A 57 57 LYS N N 54 125.616 124.323 1.293 1
1 714 . 20 1 1 A 58 58 LEU H H 55 8.449 9.298 -0.849 1
1 715 . 20 1 1 A 58 58 LEU HA H 55 4.796 4.749 0.047 1
1 725 . 20 1 1 A 58 58 LEU CA C 55 53.201 54.565 -1.364 1
1 726 . 20 1 1 A 58 58 LEU CB C 55 41.669 44.036 -2.367 1
1 730 . 20 1 1 A 58 58 LEU N N 55 124.214 126.200 -1.986 1
1 731 . 20 1 1 A 59 59 ARG HA H 56 4.008 4.548 -0.540 1
1 738 . 20 1 1 A 59 59 ARG CA C 56 57.420 56.918 0.502 1
1 739 . 20 1 1 A 59 59 ARG CB C 56 29.575 31.279 -1.704 1
1 742 . 20 1 1 A 60 60 SER HA H 57 4.246 4.425 -0.179 1
1 745 . 20 1 1 A 60 60 SER CA C 57 59.798 60.640 -0.842 1
1 746 . 20 1 1 A 60 60 SER CB C 57 63.045 63.646 -0.601 1
1 747 . 20 1 1 A 61 61 SER HA H 58 4.616 5.134 -0.518 1
1 750 . 20 1 1 A 61 61 SER C C 58 175.155 173.409 1.746 1
1 751 . 20 1 1 A 61 61 SER CA C 58 58.010 58.079 -0.069 1
1 752 . 20 1 1 A 61 61 SER CB C 58 64.452 66.769 -2.317 1
1 753 . 20 1 1 A 62 62 GLY H H 59 8.217 9.017 -0.800 1
1 754 . 20 1 1 A 62 62 GLY HA2 H 59 3.926 3.828 0.098 1
1 755 . 20 1 1 A 62 62 GLY HA3 H 59 4.010 3.892 0.118 1
1 756 . 20 1 1 A 62 62 GLY C C 59 174.407 173.160 1.247 1
1 757 . 20 1 1 A 62 62 GLY CA C 59 45.888 47.192 -1.304 1
1 758 . 20 1 1 A 62 62 GLY N N 59 109.272 112.598 -3.326 1
1 759 . 20 1 1 A 63 63 TYR H H 60 7.463 8.814 -1.351 1
1 760 . 20 1 1 A 63 63 TYR HA H 60 4.629 5.176 -0.547 1
1 767 . 20 1 1 A 63 63 TYR C C 60 175.117 175.221 -0.104 1
1 768 . 20 1 1 A 63 63 TYR CA C 60 59.857 56.707 3.150 1
1 769 . 20 1 1 A 63 63 TYR CB C 60 41.388 42.383 -0.995 1
1 770 . 20 1 1 A 63 63 TYR N N 60 117.638 123.244 -5.606 1
1 771 . 20 1 1 A 64 64 ARG H H 61 9.261 9.326 -0.065 1
1 772 . 20 1 1 A 64 64 ARG HA H 61 5.458 5.468 -0.010 1
1 779 . 20 1 1 A 64 64 ARG C C 61 173.596 174.695 -1.099 1
1 780 . 20 1 1 A 64 64 ARG CA C 61 53.880 54.481 -0.601 1
1 781 . 20 1 1 A 64 64 ARG CB C 61 34.357 34.163 0.194 1
1 784 . 20 1 1 A 64 64 ARG N N 61 119.605 121.830 -2.225 1
1 785 . 20 1 1 A 65 65 LEU H H 62 9.085 9.323 -0.238 1
1 786 . 20 1 1 A 65 65 LEU HA H 62 5.432 5.161 0.271 1
1 796 . 20 1 1 A 65 65 LEU C C 62 174.534 174.482 0.052 1
1 797 . 20 1 1 A 65 65 LEU CA C 62 53.795 54.319 -0.524 1
1 798 . 20 1 1 A 65 65 LEU CB C 62 46.732 45.892 0.840 1
1 802 . 20 1 1 A 65 65 LEU N N 62 125.189 124.342 0.847 1
1 803 . 20 1 1 A 66 66 VAL H H 63 9.058 9.074 -0.016 1
1 804 . 20 1 1 A 66 66 VAL HA H 63 4.991 5.026 -0.035 1
1 812 . 20 1 1 A 66 66 VAL C C 63 174.699 175.015 -0.316 1
1 813 . 20 1 1 A 66 66 VAL CA C 63 60.795 60.749 0.046 1
1 814 . 20 1 1 A 66 66 VAL CB C 63 34.075 33.304 0.771 1
1 817 . 20 1 1 A 66 66 VAL N N 63 125.140 126.463 -1.323 1
1 818 . 20 1 1 A 67 67 TYR H H 64 9.091 8.796 0.295 1
1 819 . 20 1 1 A 67 67 TYR HA H 64 5.659 5.540 0.119 1
1 826 . 20 1 1 A 67 67 TYR C C 64 170.910 173.035 -2.125 1
1 827 . 20 1 1 A 67 67 TYR CA C 64 54.286 55.165 -0.879 1
1 828 . 20 1 1 A 67 67 TYR CB C 64 41.951 41.963 -0.012 1
1 829 . 20 1 1 A 67 67 TYR N N 64 124.150 123.777 0.373 1
1 830 . 20 1 1 A 68 68 GLN H H 65 9.814 9.336 0.478 1
1 831 . 20 1 1 A 68 68 GLN HA H 65 5.510 5.466 0.044 1
1 838 . 20 1 1 A 68 68 GLN C C 65 175.725 174.642 1.083 1
1 839 . 20 1 1 A 68 68 GLN CA C 65 53.092 54.589 -1.497 1
1 840 . 20 1 1 A 68 68 GLN CB C 65 32.600 31.598 1.002 1
1 842 . 20 1 1 A 68 68 GLN N N 65 123.050 119.166 3.884 1
1 844 . 20 1 1 A 69 69 VAL H H 66 9.198 9.350 -0.152 1
1 845 . 20 1 1 A 69 69 VAL HA H 66 4.369 4.501 -0.132 1
1 853 . 20 1 1 A 69 69 VAL C C 66 175.357 174.990 0.367 1
1 854 . 20 1 1 A 69 69 VAL CA C 66 63.045 61.948 1.097 1
1 855 . 20 1 1 A 69 69 VAL CB C 66 32.669 32.638 0.031 1
1 858 . 20 1 1 A 69 69 VAL N N 66 127.343 123.627 3.716 1
1 859 . 20 1 1 A 70 70 ILE H H 67 9.241 9.399 -0.158 1
1 860 . 20 1 1 A 70 70 ILE HA H 67 4.471 4.380 0.091 1
1 870 . 20 1 1 A 70 70 ILE C C 67 177.081 176.225 0.856 1
1 871 . 20 1 1 A 70 70 ILE CA C 67 59.716 61.115 -1.399 1
1 872 . 20 1 1 A 70 70 ILE CB C 67 37.169 36.963 0.206 1
1 876 . 20 1 1 A 70 70 ILE N N 67 129.254 127.817 1.437 1
1 877 . 20 1 1 A 71 71 ASP H H 68 9.374 8.230 1.144 1
1 878 . 20 1 1 A 71 71 ASP HA H 68 4.574 4.377 0.197 1
1 881 . 20 1 1 A 71 71 ASP C C 68 179.868 177.773 2.095 1
1 882 . 20 1 1 A 71 71 ASP CA C 68 58.797 57.645 1.152 1
1 883 . 20 1 1 A 71 71 ASP CB C 68 40.544 40.559 -0.015 1
1 884 . 20 1 1 A 71 71 ASP N N 68 129.133 129.080 0.053 1
1 885 . 20 1 1 A 72 72 GLU H H 69 9.631 8.287 1.344 1
1 886 . 20 1 1 A 72 72 GLU HA H 69 4.088 4.151 -0.063 1
1 891 . 20 1 1 A 72 72 GLU C C 69 176.865 177.883 -1.018 1
1 892 . 20 1 1 A 72 72 GLU CA C 69 59.670 59.193 0.477 1
1 893 . 20 1 1 A 72 72 GLU CB C 69 29.100 29.846 -0.746 1
1 895 . 20 1 1 A 72 72 GLU N N 69 118.880 118.606 0.274 1
1 896 . 20 1 1 A 73 73 LYS H H 70 6.582 7.734 -1.152 1
1 897 . 20 1 1 A 73 73 LYS HA H 70 4.474 4.404 0.070 1
1 906 . 20 1 1 A 73 73 LYS C C 70 173.964 175.588 -1.624 1
1 907 . 20 1 1 A 73 73 LYS CA C 70 54.604 55.642 -1.038 1
1 908 . 20 1 1 A 73 73 LYS CB C 70 34.075 33.388 0.687 1
1 912 . 20 1 1 A 73 73 LYS N N 70 114.014 116.972 -2.958 1
1 913 . 20 1 1 A 74 74 VAL H H 71 7.791 7.775 0.016 1
1 914 . 20 1 1 A 74 74 VAL HA H 71 2.948 3.835 -0.887 1
1 922 . 20 1 1 A 74 74 VAL C C 71 173.381 174.419 -1.038 1
1 923 . 20 1 1 A 74 74 VAL CA C 71 63.045 63.693 -0.648 1
1 924 . 20 1 1 A 74 74 VAL CB C 71 29.013 29.505 -0.492 1
1 927 . 20 1 1 A 74 74 VAL N N 71 119.301 116.656 2.645 1
1 928 . 20 1 1 A 75 75 VAL H H 72 7.736 7.843 -0.107 1
1 929 . 20 1 1 A 75 75 VAL HA H 72 5.159 4.993 0.166 1
1 937 . 20 1 1 A 75 75 VAL C C 72 175.028 173.874 1.154 1
1 938 . 20 1 1 A 75 75 VAL CA C 72 59.839 60.368 -0.529 1
1 939 . 20 1 1 A 75 75 VAL CB C 72 37.732 35.880 1.852 1
1 942 . 20 1 1 A 75 75 VAL N N 72 116.865 120.072 -3.207 1
1 943 . 20 1 1 A 76 76 VAL H H 73 9.006 9.246 -0.240 1
1 944 . 20 1 1 A 76 76 VAL HA H 73 4.190 4.496 -0.306 1
1 952 . 20 1 1 A 76 76 VAL C C 73 172.177 174.639 -2.462 1
1 953 . 20 1 1 A 76 76 VAL CA C 73 62.473 61.246 1.227 1
1 954 . 20 1 1 A 76 76 VAL CB C 73 32.388 32.023 0.365 1
1 957 . 20 1 1 A 76 76 VAL N N 73 128.675 128.077 0.598 1
1 958 . 20 1 1 A 77 77 PHE H H 74 9.468 9.425 0.043 1
1 959 . 20 1 1 A 77 77 PHE HA H 74 5.019 5.152 -0.133 1
1 966 . 20 1 1 A 77 77 PHE C C 74 174.420 174.085 0.335 1
1 967 . 20 1 1 A 77 77 PHE CA C 74 54.378 55.574 -1.196 1
1 968 . 20 1 1 A 77 77 PHE CB C 74 42.230 40.826 1.404 1
1 969 . 20 1 1 A 77 77 PHE N N 74 130.014 128.340 1.674 1
1 970 . 20 1 1 A 78 78 VAL H H 75 8.990 8.846 0.144 1
1 971 . 20 1 1 A 78 78 VAL HA H 75 3.645 4.013 -0.368 1
1 979 . 20 1 1 A 78 78 VAL C C 75 174.813 175.514 -0.701 1
1 980 . 20 1 1 A 78 78 VAL CA C 75 64.452 63.772 0.680 1
1 981 . 20 1 1 A 78 78 VAL CB C 75 31.009 31.492 -0.483 1
1 984 . 20 1 1 A 78 78 VAL N N 75 128.474 127.347 1.127 1
1 985 . 20 1 1 A 79 79 ILE H H 76 8.679 9.183 -0.504 1
1 986 . 20 1 1 A 79 79 ILE HA H 76 4.171 4.123 0.048 1
1 996 . 20 1 1 A 79 79 ILE C C 76 176.092 175.887 0.205 1
1 997 . 20 1 1 A 79 79 ILE CA C 76 61.635 62.507 -0.872 1
1 998 . 20 1 1 A 79 79 ILE CB C 76 39.982 38.296 1.686 1
1 1002 . 20 1 1 A 79 79 ILE N N 76 122.334 129.021 -6.687 1
1 1003 . 20 1 1 A 80 80 SER H H 77 7.614 7.607 0.007 1
1 1004 . 20 1 1 A 80 80 SER HA H 77 4.724 4.968 -0.244 1
1 1007 . 20 1 1 A 80 80 SER C C 77 172.545 172.200 0.345 1
1 1008 . 20 1 1 A 80 80 SER CA C 77 57.849 57.853 -0.004 1
1 1009 . 20 1 1 A 80 80 SER CB C 77 64.733 67.053 -2.320 1
1 1010 . 20 1 1 A 80 80 SER N N 77 113.369 114.072 -0.703 1
1 1011 . 20 1 1 A 81 81 VAL H H 78 8.814 8.707 0.107 1
1 1012 . 20 1 1 A 81 81 VAL HA H 78 5.102 5.210 -0.108 1
1 1020 . 20 1 1 A 81 81 VAL C C 78 173.761 174.545 -0.784 1
1 1021 . 20 1 1 A 81 81 VAL CA C 78 61.004 59.746 1.258 1
1 1022 . 20 1 1 A 81 81 VAL CB C 78 34.638 35.712 -1.074 1
1 1025 . 20 1 1 A 81 81 VAL N N 78 123.792 121.273 2.519 1
1 1026 . 20 1 1 A 82 82 GLY H H 79 8.628 8.647 -0.019 1
1 1027 . 20 1 1 A 82 82 GLY HA2 H 79 4.365 4.327 0.038 1
1 1028 . 20 1 1 A 82 82 GLY HA3 H 79 4.214 4.530 -0.316 1
1 1029 . 20 1 1 A 82 82 GLY C C 79 171.201 171.955 -0.754 1
1 1030 . 20 1 1 A 82 82 GLY CA C 79 45.606 45.270 0.336 1
1 1031 . 20 1 1 A 82 82 GLY N N 79 111.112 113.823 -2.711 1
1 1032 . 20 1 1 A 83 83 LYS H H 80 8.670 8.282 0.388 1
1 1033 . 20 1 1 A 83 83 LYS HA H 80 4.205 4.501 -0.296 1
1 1042 . 20 1 1 A 83 83 LYS C C 80 176.080 175.428 0.652 1
1 1043 . 20 1 1 A 83 83 LYS CA C 80 55.451 55.429 0.022 1
1 1044 . 20 1 1 A 83 83 LYS CB C 80 32.665 33.836 -1.171 1
1 1048 . 20 1 1 A 83 83 LYS N N 80 120.943 121.938 -0.995 1
1 1049 . 20 1 1 A 84 84 ALA H H 81 8.049 8.470 -0.421 1
1 1050 . 20 1 1 A 84 84 ALA HA H 81 4.182 4.902 -0.720 1
1 1054 . 20 1 1 A 84 84 ALA C C 81 176.941 177.302 -0.361 1
1 1055 . 20 1 1 A 84 84 ALA CA C 81 52.248 51.191 1.057 1
1 1056 . 20 1 1 A 84 84 ALA CB C 81 19.450 21.225 -1.775 1
1 1057 . 20 1 1 A 84 84 ALA N N 81 125.262 124.759 0.503 1
1 1058 . 20 1 1 A 85 85 GLU H H 82 8.460 9.242 -0.782 1
1 1059 . 20 1 1 A 85 85 GLU HA H 82 4.230 4.436 -0.206 1
1 1064 . 20 1 1 A 85 85 GLU C C 82 176.599 177.580 -0.981 1
1 1065 . 20 1 1 A 85 85 GLU CA C 82 56.446 57.936 -1.490 1
1 1066 . 20 1 1 A 85 85 GLU CB C 82 29.853 31.122 -1.269 1
1 1068 . 20 1 1 A 85 85 GLU N N 82 119.296 125.151 -5.855 1
1 1069 . 20 1 1 A 86 86 ALA H H 83 8.403 8.711 -0.308 1
1 1070 . 20 1 1 A 86 86 ALA HA H 83 4.149 4.563 -0.414 1
1 1074 . 20 1 1 A 86 86 ALA C C 83 177.777 178.434 -0.657 1
1 1075 . 20 1 1 A 86 86 ALA CA C 83 53.448 53.445 0.003 1
1 1076 . 20 1 1 A 86 86 ALA CB C 83 18.887 21.649 -2.762 1
1 1077 . 20 1 1 A 86 86 ALA N N 83 124.833 119.504 5.329 1
1 1078 . 20 1 1 A 87 87 SER H H 84 8.301 8.129 0.172 1
1 1079 . 20 1 1 A 87 87 SER HA H 84 4.297 4.860 -0.563 1
1 1082 . 20 1 1 A 87 87 SER C C 84 175.370 175.644 -0.274 1
1 1083 . 20 1 1 A 87 87 SER N N 84 113.395 108.820 4.575 1
1 1084 . 20 1 1 A 88 88 GLU H H 85 8.271 8.227 0.044 1
1 1085 . 20 1 1 A 88 88 GLU HA H 85 4.239 4.048 0.191 1
1 1090 . 20 1 1 A 88 88 GLU C C 85 177.081 178.533 -1.452 1
1 1091 . 20 1 1 A 88 88 GLU CA C 85 57.140 59.382 -2.242 1
1 1092 . 20 1 1 A 88 88 GLU CB C 85 29.856 29.548 0.308 1
1 1094 . 20 1 1 A 88 88 GLU N N 85 122.554 122.652 -0.098 1
1 1095 . 20 1 1 A 89 89 VAL H H 86 7.833 7.640 0.193 1
1 1096 . 20 1 1 A 89 89 VAL HA H 86 3.895 4.120 -0.225 1
1 1104 . 20 1 1 A 89 89 VAL C C 86 177.172 176.542 0.630 1
1 1105 . 20 1 1 A 89 89 VAL CA C 86 63.045 62.760 0.285 1
1 1106 . 20 1 1 A 89 89 VAL CB C 86 32.107 31.847 0.260 1
1 1109 . 20 1 1 A 89 89 VAL N N 86 119.916 115.274 4.642 1
1 1110 . 20 1 1 A 90 90 TYR H H 87 8.142 7.632 0.510 1
1 1111 . 20 1 1 A 90 90 TYR HA H 87 4.479 4.444 0.035 1
1 1118 . 20 1 1 A 90 90 TYR C C 87 176.637 178.774 -2.137 1
1 1119 . 20 1 1 A 90 90 TYR CA C 87 58.545 60.400 -1.855 1
1 1120 . 20 1 1 A 90 90 TYR CB C 87 37.732 39.146 -1.414 1
1 1121 . 20 1 1 A 90 90 TYR N N 87 122.303 121.629 0.674 1
1 1122 . 20 1 1 A 91 91 SER H H 88 8.090 8.920 -0.830 1
1 1123 . 20 1 1 A 91 91 SER HA H 88 4.335 4.269 0.066 1
1 1126 . 20 1 1 A 91 91 SER C C 88 176.130 177.327 -1.197 1
1 1127 . 20 1 1 A 91 91 SER CA C 88 59.899 61.739 -1.840 1
1 1128 . 20 1 1 A 91 91 SER CB C 88 62.483 62.577 -0.094 1
1 1129 . 20 1 1 A 91 91 SER N N 88 115.828 117.132 -1.304 1
1 1130 . 20 1 1 A 92 92 GLU H H 89 8.234 7.881 0.353 1
1 1131 . 20 1 1 A 92 92 GLU HA H 89 4.213 4.064 0.149 1
1 1136 . 20 1 1 A 92 92 GLU C C 89 177.600 179.069 -1.469 1
1 1137 . 20 1 1 A 92 92 GLU CA C 89 57.701 58.834 -1.133 1
1 1138 . 20 1 1 A 92 92 GLU CB C 89 29.575 29.149 0.426 1
1 1140 . 20 1 1 A 92 92 GLU N N 89 121.225 122.075 -0.850 1
1 1141 . 20 1 1 A 93 93 ALA H H 90 7.960 7.940 0.020 1
1 1142 . 20 1 1 A 93 93 ALA HA H 90 4.025 4.104 -0.079 1
1 1146 . 20 1 1 A 93 93 ALA C C 90 178.550 179.837 -1.287 1
1 1147 . 20 1 1 A 93 93 ALA CA C 90 54.225 54.957 -0.732 1
1 1148 . 20 1 1 A 93 93 ALA CB C 90 18.325 18.174 0.151 1
1 1149 . 20 1 1 A 93 93 ALA N N 90 122.055 122.906 -0.851 1
1 1150 . 20 1 1 A 94 94 VAL H H 91 7.799 8.321 -0.522 1
1 1151 . 20 1 1 A 94 94 VAL HA H 91 3.818 3.898 -0.080 1
1 1159 . 20 1 1 A 94 94 VAL CA C 91 64.167 65.135 -0.968 1
1 1160 . 20 1 1 A 94 94 VAL CB C 91 31.825 31.415 0.410 1
1 1163 . 20 1 1 A 94 94 VAL N N 91 115.727 117.089 -1.362 1
1 1164 . 20 1 1 A 95 95 LYS H H 92 7.764 8.054 -0.290 1
1 1165 . 20 1 1 A 95 95 LYS HA H 92 4.197 4.300 -0.103 1
1 1174 . 20 1 1 A 95 95 LYS C C 92 177.600 178.314 -0.714 1
1 1175 . 20 1 1 A 95 95 LYS CA C 92 57.139 58.644 -1.505 1
1 1176 . 20 1 1 A 95 95 LYS CB C 92 32.600 32.296 0.304 1
1 1180 . 20 1 1 A 95 95 LYS N N 92 120.823 121.655 -0.832 1
1 1181 . 20 1 1 A 96 96 ARG H H 93 7.970 7.656 0.314 1
1 1182 . 20 1 1 A 96 96 ARG HA H 93 4.341 4.171 0.170 1
1 1189 . 20 1 1 A 96 96 ARG C C 93 179.703 177.223 2.480 1
1 1190 . 20 1 1 A 96 96 ARG CA C 93 56.295 58.143 -1.848 1
1 1191 . 20 1 1 A 96 96 ARG CB C 93 31.400 30.474 0.926 1
1 1194 . 20 1 1 A 96 96 ARG N N 93 119.070 118.127 0.943 1
1 1195 . 20 1 1 A 97 97 ILE H H 94 8.012 7.528 0.484 1
1 1196 . 20 1 1 A 97 97 ILE HA H 94 4.216 4.272 -0.056 1
1 1206 . 20 1 1 A 97 97 ILE C C 94 175.509 174.756 0.753 1
1 1207 . 20 1 1 A 97 97 ILE CA C 94 61.362 61.108 0.254 1
1 1208 . 20 1 1 A 97 97 ILE CB C 94 38.576 35.685 2.891 1
1 1212 . 20 1 1 A 97 97 ILE N N 94 120.512 120.513 -0.001 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 85 0.993 1
2 1 1 1 "RMS(OBS, PRED)" CA 92 1.244 1
3 1 1 1 "RMS(OBS, PRED)" CB 88 1.028 1
4 1 1 1 "RMS(OBS, PRED)" H 88 0.512 1
5 1 1 1 "RMS(OBS, PRED)" HA 97 0.280 1
6 1 1 1 "RMS(OBS, PRED)" N 88 2.392 1
7 1 2 1 "RMS(OBS, PRED)" C 85 0.939 1
8 1 2 1 "RMS(OBS, PRED)" CA 92 1.242 1
9 1 2 1 "RMS(OBS, PRED)" CB 88 1.100 1
10 1 2 1 "RMS(OBS, PRED)" H 88 0.497 1
11 1 2 1 "RMS(OBS, PRED)" HA 97 0.282 1
12 1 2 1 "RMS(OBS, PRED)" N 88 2.438 1
13 1 3 1 "RMS(OBS, PRED)" C 85 0.933 1
14 1 3 1 "RMS(OBS, PRED)" CA 92 1.227 1
15 1 3 1 "RMS(OBS, PRED)" CB 88 1.093 1
16 1 3 1 "RMS(OBS, PRED)" H 88 0.485 1
17 1 3 1 "RMS(OBS, PRED)" HA 97 0.321 1
18 1 3 1 "RMS(OBS, PRED)" N 88 2.429 1
19 1 4 1 "RMS(OBS, PRED)" C 85 0.982 1
20 1 4 1 "RMS(OBS, PRED)" CA 92 1.259 1
21 1 4 1 "RMS(OBS, PRED)" CB 88 0.857 1
22 1 4 1 "RMS(OBS, PRED)" H 88 0.544 1
23 1 4 1 "RMS(OBS, PRED)" HA 97 0.288 1
24 1 4 1 "RMS(OBS, PRED)" N 88 2.441 1
25 1 5 1 "RMS(OBS, PRED)" C 85 1.018 1
26 1 5 1 "RMS(OBS, PRED)" CA 92 1.252 1
27 1 5 1 "RMS(OBS, PRED)" CB 88 0.989 1
28 1 5 1 "RMS(OBS, PRED)" H 88 0.517 1
29 1 5 1 "RMS(OBS, PRED)" HA 97 0.298 1
30 1 5 1 "RMS(OBS, PRED)" N 88 2.575 1
31 1 6 1 "RMS(OBS, PRED)" C 85 0.930 1
32 1 6 1 "RMS(OBS, PRED)" CA 92 1.197 1
33 1 6 1 "RMS(OBS, PRED)" CB 88 1.069 1
34 1 6 1 "RMS(OBS, PRED)" H 88 0.521 1
35 1 6 1 "RMS(OBS, PRED)" HA 97 0.295 1
36 1 6 1 "RMS(OBS, PRED)" N 88 2.520 1
37 1 7 1 "RMS(OBS, PRED)" C 85 0.982 1
38 1 7 1 "RMS(OBS, PRED)" CA 92 1.224 1
39 1 7 1 "RMS(OBS, PRED)" CB 88 1.069 1
40 1 7 1 "RMS(OBS, PRED)" H 88 0.507 1
41 1 7 1 "RMS(OBS, PRED)" HA 97 0.269 1
42 1 7 1 "RMS(OBS, PRED)" N 88 2.499 1
43 1 8 1 "RMS(OBS, PRED)" C 85 0.964 1
44 1 8 1 "RMS(OBS, PRED)" CA 92 1.153 1
45 1 8 1 "RMS(OBS, PRED)" CB 88 1.063 1
46 1 8 1 "RMS(OBS, PRED)" H 88 0.498 1
47 1 8 1 "RMS(OBS, PRED)" HA 97 0.316 1
48 1 8 1 "RMS(OBS, PRED)" N 88 2.416 1
49 1 9 1 "RMS(OBS, PRED)" C 85 0.901 1
50 1 9 1 "RMS(OBS, PRED)" CA 92 1.216 1
51 1 9 1 "RMS(OBS, PRED)" CB 88 1.131 1
52 1 9 1 "RMS(OBS, PRED)" H 88 0.526 1
53 1 9 1 "RMS(OBS, PRED)" HA 97 0.323 1
54 1 9 1 "RMS(OBS, PRED)" N 88 2.471 1
55 1 10 1 "RMS(OBS, PRED)" C 85 0.979 1
56 1 10 1 "RMS(OBS, PRED)" CA 92 1.255 1
57 1 10 1 "RMS(OBS, PRED)" CB 88 0.946 1
58 1 10 1 "RMS(OBS, PRED)" H 88 0.502 1
59 1 10 1 "RMS(OBS, PRED)" HA 97 0.279 1
60 1 10 1 "RMS(OBS, PRED)" N 88 2.329 1
61 1 11 1 "RMS(OBS, PRED)" C 85 0.931 1
62 1 11 1 "RMS(OBS, PRED)" CA 92 1.172 1
63 1 11 1 "RMS(OBS, PRED)" CB 88 0.956 1
64 1 11 1 "RMS(OBS, PRED)" H 88 0.507 1
65 1 11 1 "RMS(OBS, PRED)" HA 97 0.238 1
66 1 11 1 "RMS(OBS, PRED)" N 88 2.505 1
67 1 12 1 "RMS(OBS, PRED)" C 85 0.939 1
68 1 12 1 "RMS(OBS, PRED)" CA 92 1.293 1
69 1 12 1 "RMS(OBS, PRED)" CB 88 1.030 1
70 1 12 1 "RMS(OBS, PRED)" H 88 0.485 1
71 1 12 1 "RMS(OBS, PRED)" HA 97 0.275 1
72 1 12 1 "RMS(OBS, PRED)" N 88 2.798 1
73 1 13 1 "RMS(OBS, PRED)" C 85 0.934 1
74 1 13 1 "RMS(OBS, PRED)" CA 92 1.168 1
75 1 13 1 "RMS(OBS, PRED)" CB 88 1.150 1
76 1 13 1 "RMS(OBS, PRED)" H 88 0.511 1
77 1 13 1 "RMS(OBS, PRED)" HA 97 0.311 1
78 1 13 1 "RMS(OBS, PRED)" N 88 2.487 1
79 1 14 1 "RMS(OBS, PRED)" C 85 0.940 1
80 1 14 1 "RMS(OBS, PRED)" CA 92 1.284 1
81 1 14 1 "RMS(OBS, PRED)" CB 88 0.890 1
82 1 14 1 "RMS(OBS, PRED)" H 88 0.534 1
83 1 14 1 "RMS(OBS, PRED)" HA 97 0.303 1
84 1 14 1 "RMS(OBS, PRED)" N 88 2.457 1
85 1 15 1 "RMS(OBS, PRED)" C 85 0.862 1
86 1 15 1 "RMS(OBS, PRED)" CA 92 1.176 1
87 1 15 1 "RMS(OBS, PRED)" CB 88 0.997 1
88 1 15 1 "RMS(OBS, PRED)" H 88 0.490 1
89 1 15 1 "RMS(OBS, PRED)" HA 97 0.317 1
90 1 15 1 "RMS(OBS, PRED)" N 88 2.401 1
91 1 16 1 "RMS(OBS, PRED)" C 85 0.981 1
92 1 16 1 "RMS(OBS, PRED)" CA 92 1.346 1
93 1 16 1 "RMS(OBS, PRED)" CB 88 1.047 1
94 1 16 1 "RMS(OBS, PRED)" H 88 0.515 1
95 1 16 1 "RMS(OBS, PRED)" HA 97 0.308 1
96 1 16 1 "RMS(OBS, PRED)" N 88 2.715 1
97 1 17 1 "RMS(OBS, PRED)" C 85 0.974 1
98 1 17 1 "RMS(OBS, PRED)" CA 92 1.184 1
99 1 17 1 "RMS(OBS, PRED)" CB 88 1.093 1
100 1 17 1 "RMS(OBS, PRED)" H 88 0.563 1
101 1 17 1 "RMS(OBS, PRED)" HA 97 0.320 1
102 1 17 1 "RMS(OBS, PRED)" N 88 2.363 1
103 1 18 1 "RMS(OBS, PRED)" C 85 1.015 1
104 1 18 1 "RMS(OBS, PRED)" CA 92 1.211 1
105 1 18 1 "RMS(OBS, PRED)" CB 88 1.099 1
106 1 18 1 "RMS(OBS, PRED)" H 88 0.562 1
107 1 18 1 "RMS(OBS, PRED)" HA 97 0.292 1
108 1 18 1 "RMS(OBS, PRED)" N 88 2.819 1
109 1 19 1 "RMS(OBS, PRED)" C 85 1.026 1
110 1 19 1 "RMS(OBS, PRED)" CA 92 1.193 1
111 1 19 1 "RMS(OBS, PRED)" CB 88 1.022 1
112 1 19 1 "RMS(OBS, PRED)" H 88 0.518 1
113 1 19 1 "RMS(OBS, PRED)" HA 97 0.290 1
114 1 19 1 "RMS(OBS, PRED)" N 88 2.539 1
115 1 20 1 "RMS(OBS, PRED)" C 85 0.997 1
116 1 20 1 "RMS(OBS, PRED)" CA 92 1.096 1
117 1 20 1 "RMS(OBS, PRED)" CB 88 1.160 1
118 1 20 1 "RMS(OBS, PRED)" H 88 0.549 1
119 1 20 1 "RMS(OBS, PRED)" HA 97 0.316 1
120 1 20 1 "RMS(OBS, PRED)" N 88 2.642 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 16 . 1 1 A 5 5 ALA H H 2 8.084 8.660 -0.576 2
1 17 . 1 1 A 5 5 ALA HA H 2 4.423 5.504 -1.081 2
1 21 . 1 1 A 5 5 ALA C C 2 176.536 175.822 0.714 2
1 22 . 1 1 A 5 5 ALA CA C 2 51.634 50.415 1.219 2
1 23 . 1 1 A 5 5 ALA CB C 2 19.439 22.278 -2.839 2
1 24 . 1 1 A 5 5 ALA N N 2 125.284 126.340 -1.056 2
1 25 . 1 1 A 6 6 TYR H H 3 8.406 8.825 -0.419 2
1 26 . 1 1 A 6 6 TYR HA H 3 4.312 4.784 -0.472 2
1 33 . 1 1 A 6 6 TYR C C 3 175.433 175.313 0.120 2
1 34 . 1 1 A 6 6 TYR CA C 3 57.701 56.789 0.912 2
1 35 . 1 1 A 6 6 TYR CB C 3 39.701 41.646 -1.945 2
1 36 . 1 1 A 6 6 TYR N N 3 120.887 119.249 1.638 2
1 37 . 1 1 A 7 7 PHE H H 4 8.703 9.298 -0.595 2
1 38 . 1 1 A 7 7 PHE HA H 4 4.645 4.899 -0.254 2
1 45 . 1 1 A 7 7 PHE C C 4 173.812 174.824 -1.012 2
1 46 . 1 1 A 7 7 PHE CA C 4 56.853 57.668 -0.815 2
1 47 . 1 1 A 7 7 PHE CB C 4 40.541 40.711 -0.170 2
1 48 . 1 1 A 7 7 PHE N N 4 119.295 120.005 -0.710 2
1 49 . 1 1 A 8 8 LEU H H 5 8.255 8.693 -0.438 2
1 50 . 1 1 A 8 8 LEU HA H 5 4.985 5.166 -0.181 2
1 60 . 1 1 A 8 8 LEU C C 5 174.927 174.297 0.630 2
1 61 . 1 1 A 8 8 LEU CA C 5 53.544 53.438 0.106 2
1 62 . 1 1 A 8 8 LEU CB C 5 44.201 45.682 -1.482 2
1 66 . 1 1 A 8 8 LEU N N 5 124.516 122.735 1.781 2
1 67 . 1 1 A 9 9 ASP H H 6 9.047 8.771 0.276 2
1 68 . 1 1 A 9 9 ASP HA H 6 5.089 5.283 -0.194 2
1 71 . 1 1 A 9 9 ASP C C 6 173.216 174.035 -0.819 2
1 72 . 1 1 A 9 9 ASP CA C 6 52.278 52.797 -0.519 2
1 73 . 1 1 A 9 9 ASP CB C 6 45.326 45.117 0.209 2
1 74 . 1 1 A 9 9 ASP N N 6 126.171 124.692 1.479 2
1 75 . 1 1 A 10 10 PHE H H 7 8.891 8.773 0.118 2
1 76 . 1 1 A 10 10 PHE HA H 7 4.545 4.681 -0.136 2
1 83 . 1 1 A 10 10 PHE C C 7 175.218 174.491 0.727 2
1 84 . 1 1 A 10 10 PHE CA C 7 56.243 56.232 0.011 2
1 85 . 1 1 A 10 10 PHE CB C 7 43.638 42.122 1.516 2
1 86 . 1 1 A 10 10 PHE N N 7 119.178 120.292 -1.114 2
1 87 . 1 1 A 11 11 ASP H H 8 8.124 8.426 -0.302 2
1 88 . 1 1 A 11 11 ASP HA H 8 4.551 4.686 -0.135 2
1 91 . 1 1 A 11 11 ASP C C 8 177.157 177.384 -0.227 2
1 92 . 1 1 A 11 11 ASP CA C 8 54.315 54.321 -0.006 2
1 93 . 1 1 A 11 11 ASP CB C 8 44.201 42.562 1.639 2
1 94 . 1 1 A 11 11 ASP N N 8 123.305 123.853 -0.548 2
1 95 . 1 1 A 12 12 GLU H H 9 9.197 9.013 0.184 2
1 96 . 1 1 A 12 12 GLU HA H 9 4.016 4.104 -0.088 2
1 101 . 1 1 A 12 12 GLU C C 9 178.880 178.687 0.193 2
1 102 . 1 1 A 12 12 GLU CA C 9 60.365 59.290 1.075 2
1 103 . 1 1 A 12 12 GLU CB C 9 29.670 29.190 0.480 2
1 105 . 1 1 A 12 12 GLU N N 9 127.082 123.139 3.943 2
1 106 . 1 1 A 13 13 ARG H H 10 8.949 8.429 0.520 2
1 107 . 1 1 A 13 13 ARG HA H 10 4.097 4.067 0.029 2
1 114 . 1 1 A 13 13 ARG C C 10 179.273 178.981 0.292 2
1 115 . 1 1 A 13 13 ARG CA C 10 58.924 59.086 -0.162 2
1 116 . 1 1 A 13 13 ARG CB C 10 30.138 30.226 -0.088 2
1 119 . 1 1 A 13 13 ARG N N 10 119.265 119.519 -0.254 2
1 120 . 1 1 A 14 14 ALA H H 11 7.451 8.091 -0.640 2
1 121 . 1 1 A 14 14 ALA HA H 11 4.685 4.181 0.504 2
1 125 . 1 1 A 14 14 ALA C C 11 179.564 180.154 -0.590 2
1 126 . 1 1 A 14 14 ALA CA C 11 53.705 55.040 -1.335 2
1 127 . 1 1 A 14 14 ALA CB C 11 18.325 18.343 -0.018 2
1 128 . 1 1 A 14 14 ALA N N 11 122.421 121.935 0.486 2
1 129 . 1 1 A 15 15 LEU H H 12 8.683 8.264 0.419 2
1 130 . 1 1 A 15 15 LEU HA H 12 3.877 3.897 -0.020 2
1 140 . 1 1 A 15 15 LEU C C 12 178.550 179.392 -0.842 2
1 141 . 1 1 A 15 15 LEU CA C 12 57.139 57.489 -0.350 2
1 142 . 1 1 A 15 15 LEU CB C 12 41.103 41.313 -0.210 2
1 146 . 1 1 A 15 15 LEU N N 12 120.118 119.468 0.650 2
1 147 . 1 1 A 16 16 LYS H H 13 7.345 8.002 -0.657 2
1 148 . 1 1 A 16 16 LYS HA H 13 3.995 3.933 0.062 2
1 157 . 1 1 A 16 16 LYS C C 13 179.678 179.829 -0.151 2
1 158 . 1 1 A 16 16 LYS CA C 13 59.700 60.438 -0.738 2
1 159 . 1 1 A 16 16 LYS CB C 13 32.388 32.078 0.310 2
1 163 . 1 1 A 16 16 LYS N N 13 117.725 118.499 -0.774 2
1 164 . 1 1 A 17 17 GLU H H 14 7.453 7.912 -0.459 2
1 165 . 1 1 A 17 17 GLU HA H 14 4.016 4.110 -0.094 2
1 170 . 1 1 A 17 17 GLU C C 14 179.589 179.068 0.521 2
1 171 . 1 1 A 17 17 GLU CA C 14 58.841 59.146 -0.305 2
1 172 . 1 1 A 17 17 GLU CB C 14 29.298 29.407 -0.109 2
1 174 . 1 1 A 17 17 GLU N N 14 118.019 119.710 -1.691 2
1 175 . 1 1 A 18 18 TRP H H 15 9.081 8.589 0.492 2
1 176 . 1 1 A 18 18 TRP HA H 15 4.174 4.201 -0.027 2
1 183 . 1 1 A 18 18 TRP C C 15 178.360 178.462 -0.102 2
1 184 . 1 1 A 18 18 TRP CA C 15 59.938 61.010 -1.072 2
1 185 . 1 1 A 18 18 TRP CB C 15 30.241 29.571 0.670 2
1 186 . 1 1 A 18 18 TRP N N 15 122.628 121.982 0.646 2
1 188 . 1 1 A 19 19 ARG H H 16 8.197 8.203 -0.006 2
1 189 . 1 1 A 19 19 ARG HA H 16 3.863 4.111 -0.248 2
1 196 . 1 1 A 19 19 ARG C C 16 177.030 179.011 -1.981 2
1 197 . 1 1 A 19 19 ARG CA C 16 58.516 58.818 -0.302 2
1 198 . 1 1 A 19 19 ARG CB C 16 30.300 29.821 0.479 2
1 201 . 1 1 A 19 19 ARG N N 16 115.582 118.500 -2.918 2
1 202 . 1 1 A 20 20 LYS H H 17 7.308 7.665 -0.357 2
1 203 . 1 1 A 20 20 LYS HA H 17 4.238 4.107 0.131 2
1 212 . 1 1 A 20 20 LYS C C 17 177.043 177.185 -0.142 2
1 213 . 1 1 A 20 20 LYS CA C 17 56.270 58.880 -2.610 2
1 214 . 1 1 A 20 20 LYS CB C 17 32.300 32.059 0.241 2
1 218 . 1 1 A 20 20 LYS N N 17 116.689 119.638 -2.949 2
1 219 . 1 1 A 21 21 LEU H H 18 6.998 7.482 -0.484 2
1 220 . 1 1 A 21 21 LEU HA H 18 4.026 4.130 -0.104 2
1 230 . 1 1 A 21 21 LEU C C 18 177.676 177.429 0.247 2
1 231 . 1 1 A 21 21 LEU CA C 18 54.567 55.079 -0.512 2
1 232 . 1 1 A 21 21 LEU CB C 18 43.357 42.017 1.340 2
1 236 . 1 1 A 21 21 LEU N N 18 118.778 121.129 -2.351 2
1 237 . 1 1 A 22 22 GLY H H 19 8.370 8.323 0.047 2
1 238 . 1 1 A 22 22 GLY HA2 H 19 4.064 3.931 0.133 2
1 239 . 1 1 A 22 22 GLY HA3 H 19 3.845 3.954 -0.109 2
1 240 . 1 1 A 22 22 GLY C C 19 174.813 174.859 -0.046 2
1 241 . 1 1 A 22 22 GLY CA C 19 45.045 45.273 -0.228 2
1 242 . 1 1 A 22 22 GLY N N 19 107.490 109.622 -2.132 2
1 243 . 1 1 A 23 23 SER H H 20 8.675 8.743 -0.068 2
1 244 . 1 1 A 23 23 SER HA H 20 4.288 4.020 0.268 2
1 247 . 1 1 A 23 23 SER CA C 20 58.981 61.911 -2.930 2
1 248 . 1 1 A 23 23 SER CB C 20 63.045 62.779 0.266 2
1 249 . 1 1 A 23 23 SER N N 20 117.877 117.601 0.276 2
1 250 . 1 1 A 24 24 THR H H 21 8.216 7.939 0.277 2
1 251 . 1 1 A 24 24 THR HA H 21 3.983 3.943 0.040 2
1 256 . 1 1 A 24 24 THR C C 21 176.510 176.692 -0.182 2
1 257 . 1 1 A 24 24 THR CA C 21 65.858 66.456 -0.598 2
1 258 . 1 1 A 24 24 THR CB C 21 67.941 68.101 -0.160 2
1 260 . 1 1 A 24 24 THR N N 21 115.680 117.127 -1.447 2
1 261 . 1 1 A 25 25 VAL H H 22 7.143 7.881 -0.738 2
1 262 . 1 1 A 25 25 VAL HA H 22 3.545 3.377 0.168 2
1 270 . 1 1 A 25 25 VAL C C 22 177.613 177.645 -0.032 2
1 271 . 1 1 A 25 25 VAL CA C 22 65.577 66.686 -1.109 2
1 272 . 1 1 A 25 25 VAL CB C 22 31.544 31.153 0.391 2
1 275 . 1 1 A 25 25 VAL N N 22 122.443 121.688 0.755 2
1 276 . 1 1 A 26 26 ARG H H 23 7.840 8.138 -0.298 2
1 277 . 1 1 A 26 26 ARG HA H 23 3.156 3.597 -0.441 2
1 284 . 1 1 A 26 26 ARG C C 23 177.790 178.243 -0.453 2
1 285 . 1 1 A 26 26 ARG CA C 23 59.951 58.408 1.543 2
1 286 . 1 1 A 26 26 ARG CB C 23 29.590 28.964 0.626 2
1 289 . 1 1 A 26 26 ARG N N 23 119.146 119.709 -0.563 2
1 290 . 1 1 A 27 27 GLU H H 24 8.159 8.450 -0.291 2
1 291 . 1 1 A 27 27 GLU HA H 24 3.970 4.089 -0.119 2
1 296 . 1 1 A 27 27 GLU C C 24 179.577 179.440 0.137 2
1 297 . 1 1 A 27 27 GLU CA C 24 59.400 59.131 0.269 2
1 298 . 1 1 A 27 27 GLU CB C 24 29.013 29.256 -0.243 2
1 300 . 1 1 A 27 27 GLU N N 24 116.672 118.611 -1.939 2
1 301 . 1 1 A 28 28 GLN H H 25 7.693 7.679 0.014 2
1 302 . 1 1 A 28 28 GLN HA H 25 4.094 4.049 0.045 2
1 309 . 1 1 A 28 28 GLN C C 25 179.919 179.285 0.634 2
1 310 . 1 1 A 28 28 GLN CA C 25 59.108 58.699 0.409 2
1 311 . 1 1 A 28 28 GLN CB C 25 29.575 28.256 1.319 2
1 313 . 1 1 A 28 28 GLN N N 25 118.482 119.076 -0.594 2
1 315 . 1 1 A 29 29 LEU H H 26 8.441 8.183 0.258 2
1 316 . 1 1 A 29 29 LEU HA H 26 4.096 4.127 -0.031 2
1 326 . 1 1 A 29 29 LEU C C 26 178.804 179.385 -0.581 2
1 327 . 1 1 A 29 29 LEU CA C 26 57.983 58.074 -0.091 2
1 328 . 1 1 A 29 29 LEU CB C 26 42.513 41.472 1.041 2
1 332 . 1 1 A 29 29 LEU N N 26 119.907 120.293 -0.386 2
1 333 . 1 1 A 30 30 LYS H H 27 9.233 8.815 0.418 2
1 334 . 1 1 A 30 30 LYS HA H 27 4.076 4.224 -0.148 2
1 343 . 1 1 A 30 30 LYS C C 27 178.056 178.703 -0.647 2
1 344 . 1 1 A 30 30 LYS CA C 27 60.233 59.764 0.468 2
1 345 . 1 1 A 30 30 LYS CB C 27 32.103 32.577 -0.474 2
1 349 . 1 1 A 30 30 LYS N N 27 120.508 120.302 0.206 2
1 350 . 1 1 A 31 31 LYS H H 28 7.698 7.755 -0.057 2
1 351 . 1 1 A 31 31 LYS HA H 28 4.056 4.095 -0.039 2
1 360 . 1 1 A 31 31 LYS C C 28 179.539 179.561 -0.023 2
1 361 . 1 1 A 31 31 LYS CA C 28 59.596 59.825 -0.229 2
1 362 . 1 1 A 31 31 LYS CB C 28 32.400 32.209 0.191 2
1 366 . 1 1 A 31 31 LYS N N 28 117.412 118.174 -0.762 2
1 367 . 1 1 A 32 32 LYS H H 29 7.347 7.597 -0.250 2
1 368 . 1 1 A 32 32 LYS HA H 29 4.230 4.042 0.188 2
1 377 . 1 1 A 32 32 LYS C C 29 179.057 179.380 -0.323 2
1 378 . 1 1 A 32 32 LYS CA C 29 57.553 59.492 -1.939 2
1 379 . 1 1 A 32 32 LYS CB C 29 32.103 32.399 -0.296 2
1 383 . 1 1 A 32 32 LYS N N 29 116.983 120.137 -3.154 2
1 384 . 1 1 A 33 33 LEU H H 30 8.663 8.165 0.498 2
1 385 . 1 1 A 33 33 LEU HA H 30 3.844 3.973 -0.128 2
1 395 . 1 1 A 33 33 LEU C C 30 177.765 178.986 -1.221 2
1 396 . 1 1 A 33 33 LEU CA C 30 57.420 58.005 -0.585 2
1 397 . 1 1 A 33 33 LEU CB C 30 42.513 41.843 0.670 2
1 401 . 1 1 A 33 33 LEU N N 30 121.134 120.365 0.770 2
1 402 . 1 1 A 34 34 VAL H H 31 8.185 8.364 -0.179 2
1 403 . 1 1 A 34 34 VAL HA H 31 3.548 3.613 -0.065 2
1 411 . 1 1 A 34 34 VAL C C 31 178.639 177.680 0.959 2
1 412 . 1 1 A 34 34 VAL CA C 31 66.702 66.126 0.576 2
1 413 . 1 1 A 34 34 VAL CB C 31 31.544 31.181 0.363 2
1 416 . 1 1 A 34 34 VAL N N 31 117.076 119.107 -2.031 2
1 417 . 1 1 A 35 35 GLU H H 32 7.143 8.289 -1.146 2
1 418 . 1 1 A 35 35 GLU HA H 32 4.093 4.068 0.025 2
1 423 . 1 1 A 35 35 GLU C C 32 179.450 178.732 0.718 2
1 424 . 1 1 A 35 35 GLU CA C 32 58.264 59.103 -0.839 2
1 425 . 1 1 A 35 35 GLU CB C 32 29.575 29.184 0.391 2
1 427 . 1 1 A 35 35 GLU N N 32 117.290 119.665 -2.375 2
1 428 . 1 1 A 36 36 VAL H H 33 7.659 8.298 -0.639 2
1 429 . 1 1 A 36 36 VAL HA H 33 3.774 3.818 -0.044 2
1 437 . 1 1 A 36 36 VAL C C 33 176.929 177.642 -0.713 2
1 438 . 1 1 A 36 36 VAL CA C 33 63.889 65.099 -1.210 2
1 439 . 1 1 A 36 36 VAL CB C 33 31.825 31.175 0.650 2
1 442 . 1 1 A 36 36 VAL N N 33 118.056 119.813 -1.757 2
1 443 . 1 1 A 37 37 LEU H H 34 7.679 7.846 -0.167 2
1 444 . 1 1 A 37 37 LEU HA H 34 3.619 3.880 -0.261 2
1 454 . 1 1 A 37 37 LEU C C 34 177.968 179.351 -1.383 2
1 455 . 1 1 A 37 37 LEU CA C 34 57.420 57.207 0.213 2
1 456 . 1 1 A 37 37 LEU CB C 34 40.263 41.391 -1.128 2
1 460 . 1 1 A 37 37 LEU N N 34 116.847 121.353 -4.506 2
1 461 . 1 1 A 38 38 GLU H H 35 7.238 8.513 -1.275 2
1 462 . 1 1 A 38 38 GLU HA H 35 4.295 4.344 -0.049 2
1 467 . 1 1 A 38 38 GLU C C 35 177.853 176.705 1.148 2
1 468 . 1 1 A 38 38 GLU CA C 35 57.900 58.194 -0.294 2
1 469 . 1 1 A 38 38 GLU CB C 35 30.138 28.735 1.403 2
1 471 . 1 1 A 38 38 GLU N N 35 113.881 116.897 -3.016 2
1 472 . 1 1 A 39 39 SER H H 36 7.101 7.923 -0.822 2
1 473 . 1 1 A 39 39 SER HA H 36 4.518 4.855 -0.337 2
1 476 . 1 1 A 39 39 SER CA C 36 55.553 55.668 -0.115 2
1 477 . 1 1 A 39 39 SER CB C 36 61.920 63.124 -1.204 2
1 478 . 1 1 A 39 39 SER N N 36 109.128 115.176 -6.048 2
1 479 . 1 1 A 40 40 PRO HA H 37 4.363 4.300 0.063 2
1 486 . 1 1 A 40 40 PRO C C 37 177.879 177.059 0.820 2
1 487 . 1 1 A 40 40 PRO CA C 37 64.705 63.753 0.952 2
1 488 . 1 1 A 40 40 PRO CB C 37 32.669 31.706 0.963 2
1 491 . 1 1 A 41 41 ARG H H 38 8.299 8.249 0.050 2
1 492 . 1 1 A 41 41 ARG HA H 38 3.183 4.162 -0.979 2
1 499 . 1 1 A 41 41 ARG C C 38 174.217 175.605 -1.388 2
1 500 . 1 1 A 41 41 ARG CA C 38 56.014 55.936 0.078 2
1 501 . 1 1 A 41 41 ARG CB C 38 29.571 29.738 -0.167 2
1 504 . 1 1 A 41 41 ARG N N 38 121.121 115.431 5.690 2
1 505 . 1 1 A 42 42 ILE H H 39 5.995 7.360 -1.365 2
1 506 . 1 1 A 42 42 ILE HA H 39 4.177 4.317 -0.140 2
1 516 . 1 1 A 42 42 ILE C C 39 176.295 177.397 -1.102 2
1 517 . 1 1 A 42 42 ILE CA C 39 59.389 61.279 -1.890 2
1 518 . 1 1 A 42 42 ILE CB C 39 39.138 37.121 2.017 2
1 522 . 1 1 A 42 42 ILE N N 39 128.247 122.226 6.021 2
1 523 . 1 1 A 43 43 GLU H H 40 8.893 8.857 0.036 2
1 524 . 1 1 A 43 43 GLU HA H 40 4.174 4.158 0.016 2
1 529 . 1 1 A 43 43 GLU C C 40 178.918 178.357 0.561 2
1 530 . 1 1 A 43 43 GLU CA C 40 60.336 58.948 1.388 2
1 531 . 1 1 A 43 43 GLU CB C 40 29.100 29.104 -0.004 2
1 533 . 1 1 A 43 43 GLU N N 40 130.055 127.545 2.510 2
1 534 . 1 1 A 44 44 ALA H H 41 8.851 7.823 1.028 2
1 535 . 1 1 A 44 44 ALA HA H 41 4.222 4.148 0.074 2
1 539 . 1 1 A 44 44 ALA C C 41 178.069 178.254 -0.185 2
1 540 . 1 1 A 44 44 ALA CA C 41 54.148 54.114 0.034 2
1 541 . 1 1 A 44 44 ALA CB C 41 18.606 18.306 0.300 2
1 542 . 1 1 A 44 44 ALA N N 41 119.773 122.551 -2.778 2
1 543 . 1 1 A 45 45 ASN H H 42 8.176 8.077 0.099 2
1 544 . 1 1 A 45 45 ASN HA H 42 5.046 4.813 0.233 2
1 549 . 1 1 A 45 45 ASN C C 42 174.521 175.334 -0.813 2
1 550 . 1 1 A 45 45 ASN CA C 42 51.495 53.218 -1.724 2
1 551 . 1 1 A 45 45 ASN CB C 42 38.853 39.453 -0.600 2
1 552 . 1 1 A 45 45 ASN N N 42 114.425 114.575 -0.150 2
1 554 . 1 1 A 46 46 LYS H H 43 7.524 7.418 0.106 2
1 555 . 1 1 A 46 46 LYS HA H 43 3.769 4.025 -0.256 2
1 564 . 1 1 A 46 46 LYS C C 43 176.143 176.111 0.032 2
1 565 . 1 1 A 46 46 LYS CA C 43 56.858 56.084 0.774 2
1 566 . 1 1 A 46 46 LYS CB C 43 33.232 32.854 0.378 2
1 570 . 1 1 A 46 46 LYS N N 43 122.393 121.364 1.029 2
1 571 . 1 1 A 47 47 LEU H H 44 7.982 8.623 -0.641 2
1 572 . 1 1 A 47 47 LEU HA H 44 4.374 4.491 -0.117 2
1 582 . 1 1 A 47 47 LEU C C 44 176.143 176.843 -0.700 2
1 583 . 1 1 A 47 47 LEU CA C 44 53.746 54.158 -0.412 2
1 584 . 1 1 A 47 47 LEU CB C 44 41.951 42.269 -0.318 2
1 588 . 1 1 A 47 47 LEU N N 44 127.624 124.908 2.716 2
1 589 . 1 1 A 48 48 ARG H H 45 8.549 8.693 -0.144 2
1 590 . 1 1 A 48 48 ARG HA H 45 4.346 4.200 0.146 2
1 597 . 1 1 A 48 48 ARG CA C 45 55.800 57.540 -1.740 2
1 598 . 1 1 A 48 48 ARG CB C 45 31.263 30.461 0.802 2
1 601 . 1 1 A 48 48 ARG N N 45 125.873 123.311 2.562 2
1 602 . 1 1 A 49 49 GLY H H 46 8.800 8.505 0.295 2
1 603 . 1 1 A 49 49 GLY HA2 H 46 3.760 3.946 -0.186 2
1 604 . 1 1 A 49 49 GLY HA3 H 46 4.070 3.955 0.115 2
1 605 . 1 1 A 49 49 GLY C C 46 173.482 173.579 -0.097 2
1 606 . 1 1 A 49 49 GLY CA C 46 45.326 45.563 -0.237 2
1 607 . 1 1 A 49 49 GLY N N 46 111.980 111.436 0.544 2
1 608 . 1 1 A 50 50 MET H H 47 7.272 7.717 -0.445 2
1 609 . 1 1 A 50 50 MET HA H 47 4.921 4.846 0.075 2
1 617 . 1 1 A 50 50 MET CA C 47 52.049 53.093 -1.044 2
1 618 . 1 1 A 50 50 MET CB C 47 33.794 34.764 -0.970 2
1 621 . 1 1 A 50 50 MET N N 47 119.077 120.101 -1.024 2
1 622 . 1 1 A 51 51 PRO HA H 48 4.294 4.396 -0.102 2
1 629 . 1 1 A 51 51 PRO C C 48 176.460 176.828 -0.368 2
1 630 . 1 1 A 51 51 PRO CA C 48 63.879 63.715 0.164 2
1 631 . 1 1 A 51 51 PRO CB C 48 31.825 31.156 0.669 2
1 634 . 1 1 A 52 52 ASP H H 49 8.661 8.418 0.243 2
1 635 . 1 1 A 52 52 ASP HA H 49 4.487 4.175 0.312 2
1 638 . 1 1 A 52 52 ASP C C 49 174.065 174.885 -0.820 2
1 639 . 1 1 A 52 52 ASP CA C 49 56.042 54.610 1.432 2
1 640 . 1 1 A 52 52 ASP CB C 49 41.107 40.041 1.066 2
1 641 . 1 1 A 52 52 ASP N N 49 116.477 116.703 -0.226 2
1 642 . 1 1 A 53 53 CYS H H 50 7.575 7.669 -0.094 2
1 643 . 1 1 A 53 53 CYS HA H 50 5.835 5.338 0.497 2
1 646 . 1 1 A 53 53 CYS C C 50 173.444 173.231 0.213 2
1 647 . 1 1 A 53 53 CYS CA C 50 58.110 57.860 0.250 2
1 648 . 1 1 A 53 53 CYS CB C 50 30.700 30.075 0.625 2
1 649 . 1 1 A 53 53 CYS N N 50 114.414 118.315 -3.901 2
1 650 . 1 1 A 54 54 TYR H H 51 8.806 9.293 -0.487 2
1 651 . 1 1 A 54 54 TYR HA H 51 4.737 5.301 -0.564 2
1 658 . 1 1 A 54 54 TYR C C 51 172.950 174.114 -1.164 2
1 659 . 1 1 A 54 54 TYR CA C 51 56.066 56.169 -0.103 2
1 660 . 1 1 A 54 54 TYR CB C 51 42.794 43.186 -0.392 2
1 661 . 1 1 A 54 54 TYR N N 51 120.858 120.736 0.122 2
1 662 . 1 1 A 55 55 LYS H H 52 8.425 8.937 -0.512 2
1 663 . 1 1 A 55 55 LYS HA H 52 5.687 5.305 0.382 2
1 672 . 1 1 A 55 55 LYS C C 52 176.498 174.825 1.673 2
1 673 . 1 1 A 55 55 LYS CA C 52 53.291 54.308 -1.017 2
1 674 . 1 1 A 55 55 LYS CB C 52 36.325 36.079 0.246 2
1 678 . 1 1 A 55 55 LYS N N 52 115.794 118.275 -2.481 2
1 679 . 1 1 A 56 56 ILE H H 53 9.187 9.135 0.052 2
1 680 . 1 1 A 56 56 ILE HA H 53 4.416 4.942 -0.526 2
1 690 . 1 1 A 56 56 ILE C C 53 174.572 175.321 -0.749 2
1 691 . 1 1 A 56 56 ILE CA C 53 60.971 59.857 1.114 2
1 692 . 1 1 A 56 56 ILE CB C 53 41.388 40.685 0.703 2
1 696 . 1 1 A 56 56 ILE N N 53 120.315 123.449 -3.134 2
1 697 . 1 1 A 57 57 LYS H H 54 8.755 9.011 -0.255 2
1 698 . 1 1 A 57 57 LYS HA H 54 5.043 5.143 -0.100 2
1 707 . 1 1 A 57 57 LYS C C 54 175.193 175.145 0.048 2
1 708 . 1 1 A 57 57 LYS CA C 54 54.359 54.801 -0.442 2
1 709 . 1 1 A 57 57 LYS CB C 54 35.482 35.199 0.283 2
1 713 . 1 1 A 57 57 LYS N N 54 125.616 124.982 0.634 2
1 714 . 1 1 A 58 58 LEU H H 55 8.449 9.169 -0.720 2
1 715 . 1 1 A 58 58 LEU HA H 55 4.796 4.578 0.218 2
1 725 . 1 1 A 58 58 LEU CA C 55 53.201 54.731 -1.530 2
1 726 . 1 1 A 58 58 LEU CB C 55 41.669 42.852 -1.184 2
1 730 . 1 1 A 58 58 LEU N N 55 124.214 125.348 -1.134 2
1 731 . 1 1 A 59 59 ARG HA H 56 4.008 4.206 -0.198 2
1 738 . 1 1 A 59 59 ARG CA C 56 57.420 58.310 -0.891 2
1 739 . 1 1 A 59 59 ARG CB C 56 29.575 30.145 -0.570 2
1 742 . 1 1 A 60 60 SER HA H 57 4.246 4.408 -0.162 2
1 745 . 1 1 A 60 60 SER CA C 57 59.798 60.396 -0.598 2
1 746 . 1 1 A 60 60 SER CB C 57 63.045 63.779 -0.734 2
1 747 . 1 1 A 61 61 SER HA H 58 4.616 4.696 -0.080 2
1 750 . 1 1 A 61 61 SER C C 58 175.155 174.584 0.571 2
1 751 . 1 1 A 61 61 SER CA C 58 58.010 58.593 -0.583 2
1 752 . 1 1 A 61 61 SER CB C 58 64.452 65.021 -0.569 2
1 753 . 1 1 A 62 62 GLY H H 59 8.217 8.657 -0.440 2
1 754 . 1 1 A 62 62 GLY HA2 H 59 3.926 3.867 0.059 2
1 755 . 1 1 A 62 62 GLY HA3 H 59 4.010 3.909 0.101 2
1 756 . 1 1 A 62 62 GLY C C 59 174.407 173.983 0.424 2
1 757 . 1 1 A 62 62 GLY CA C 59 45.888 46.270 -0.382 2
1 758 . 1 1 A 62 62 GLY N N 59 109.272 110.556 -1.284 2
1 759 . 1 1 A 63 63 TYR H H 60 7.463 8.201 -0.738 2
1 760 . 1 1 A 63 63 TYR HA H 60 4.629 4.820 -0.191 2
1 767 . 1 1 A 63 63 TYR C C 60 175.117 175.246 -0.129 2
1 768 . 1 1 A 63 63 TYR CA C 60 59.857 57.678 2.179 2
1 769 . 1 1 A 63 63 TYR CB C 60 41.388 40.701 0.687 2
1 770 . 1 1 A 63 63 TYR N N 60 117.638 120.042 -2.404 2
1 771 . 1 1 A 64 64 ARG H H 61 9.261 9.271 -0.010 2
1 772 . 1 1 A 64 64 ARG HA H 61 5.458 5.544 -0.086 2
1 779 . 1 1 A 64 64 ARG C C 61 173.596 174.556 -0.960 2
1 780 . 1 1 A 64 64 ARG CA C 61 53.880 54.484 -0.604 2
1 781 . 1 1 A 64 64 ARG CB C 61 34.357 34.015 0.342 2
1 784 . 1 1 A 64 64 ARG N N 61 119.605 121.026 -1.421 2
1 785 . 1 1 A 65 65 LEU H H 62 9.085 9.237 -0.152 2
1 786 . 1 1 A 65 65 LEU HA H 62 5.432 5.299 0.133 2
1 796 . 1 1 A 65 65 LEU C C 62 174.534 174.494 0.040 2
1 797 . 1 1 A 65 65 LEU CA C 62 53.795 53.806 -0.011 2
1 798 . 1 1 A 65 65 LEU CB C 62 46.732 45.971 0.761 2
1 802 . 1 1 A 65 65 LEU N N 62 125.189 124.553 0.636 2
1 803 . 1 1 A 66 66 VAL H H 63 9.058 9.144 -0.086 2
1 804 . 1 1 A 66 66 VAL HA H 63 4.991 5.064 -0.073 2
1 812 . 1 1 A 66 66 VAL C C 63 174.699 175.043 -0.344 2
1 813 . 1 1 A 66 66 VAL CA C 63 60.795 60.740 0.055 2
1 814 . 1 1 A 66 66 VAL CB C 63 34.075 33.421 0.654 2
1 817 . 1 1 A 66 66 VAL N N 63 125.140 126.074 -0.934 2
1 818 . 1 1 A 67 67 TYR H H 64 9.091 8.842 0.249 2
1 819 . 1 1 A 67 67 TYR HA H 64 5.659 5.585 0.074 2
1 826 . 1 1 A 67 67 TYR C C 64 170.910 173.026 -2.116 2
1 827 . 1 1 A 67 67 TYR CA C 64 54.286 55.127 -0.841 2
1 828 . 1 1 A 67 67 TYR CB C 64 41.951 42.008 -0.057 2
1 829 . 1 1 A 67 67 TYR N N 64 124.150 123.957 0.193 2
1 830 . 1 1 A 68 68 GLN H H 65 9.814 9.371 0.443 2
1 831 . 1 1 A 68 68 GLN HA H 65 5.510 5.484 0.026 2
1 838 . 1 1 A 68 68 GLN C C 65 175.725 174.739 0.986 2
1 839 . 1 1 A 68 68 GLN CA C 65 53.092 54.497 -1.405 2
1 840 . 1 1 A 68 68 GLN CB C 65 32.600 31.629 0.971 2
1 842 . 1 1 A 68 68 GLN N N 65 123.050 119.126 3.924 2
1 844 . 1 1 A 69 69 VAL H H 66 9.198 9.372 -0.174 2
1 845 . 1 1 A 69 69 VAL HA H 66 4.369 4.554 -0.185 2
1 853 . 1 1 A 69 69 VAL C C 66 175.357 175.072 0.285 2
1 854 . 1 1 A 69 69 VAL CA C 66 63.045 62.000 1.045 2
1 855 . 1 1 A 69 69 VAL CB C 66 32.669 32.544 0.125 2
1 858 . 1 1 A 69 69 VAL N N 66 127.343 123.362 3.981 2
1 859 . 1 1 A 70 70 ILE H H 67 9.241 9.358 -0.117 2
1 860 . 1 1 A 70 70 ILE HA H 67 4.471 4.434 0.037 2
1 870 . 1 1 A 70 70 ILE C C 67 177.081 176.168 0.913 2
1 871 . 1 1 A 70 70 ILE CA C 67 59.716 60.930 -1.214 2
1 872 . 1 1 A 70 70 ILE CB C 67 37.169 37.037 0.132 2
1 876 . 1 1 A 70 70 ILE N N 67 129.254 127.660 1.594 2
1 877 . 1 1 A 71 71 ASP H H 68 9.374 8.768 0.606 2
1 878 . 1 1 A 71 71 ASP HA H 68 4.574 4.509 0.065 2
1 881 . 1 1 A 71 71 ASP C C 68 179.868 178.102 1.766 2
1 882 . 1 1 A 71 71 ASP CA C 68 58.797 57.477 1.320 2
1 883 . 1 1 A 71 71 ASP CB C 68 40.544 40.546 -0.002 2
1 884 . 1 1 A 71 71 ASP N N 68 129.133 128.797 0.336 2
1 885 . 1 1 A 72 72 GLU H H 69 9.631 8.274 1.357 2
1 886 . 1 1 A 72 72 GLU HA H 69 4.088 4.121 -0.033 2
1 891 . 1 1 A 72 72 GLU C C 69 176.865 177.915 -1.050 2
1 892 . 1 1 A 72 72 GLU CA C 69 59.670 59.245 0.425 2
1 893 . 1 1 A 72 72 GLU CB C 69 29.100 29.664 -0.564 2
1 895 . 1 1 A 72 72 GLU N N 69 118.880 119.081 -0.201 2
1 896 . 1 1 A 73 73 LYS H H 70 6.582 7.692 -1.110 2
1 897 . 1 1 A 73 73 LYS HA H 70 4.474 4.408 0.066 2
1 906 . 1 1 A 73 73 LYS C C 70 173.964 175.594 -1.630 2
1 907 . 1 1 A 73 73 LYS CA C 70 54.604 55.799 -1.195 2
1 908 . 1 1 A 73 73 LYS CB C 70 34.075 33.082 0.993 2
1 912 . 1 1 A 73 73 LYS N N 70 114.014 117.173 -3.159 2
1 913 . 1 1 A 74 74 VAL H H 71 7.791 7.750 0.041 2
1 914 . 1 1 A 74 74 VAL HA H 71 2.948 3.621 -0.673 2
1 922 . 1 1 A 74 74 VAL C C 71 173.381 174.326 -0.945 2
1 923 . 1 1 A 74 74 VAL CA C 71 63.045 63.646 -0.601 2
1 924 . 1 1 A 74 74 VAL CB C 71 29.013 29.658 -0.645 2
1 927 . 1 1 A 74 74 VAL N N 71 119.301 116.580 2.721 2
1 928 . 1 1 A 75 75 VAL H H 72 7.736 7.883 -0.147 2
1 929 . 1 1 A 75 75 VAL HA H 72 5.159 5.032 0.127 2
1 937 . 1 1 A 75 75 VAL C C 72 175.028 173.839 1.189 2
1 938 . 1 1 A 75 75 VAL CA C 72 59.839 60.312 -0.473 2
1 939 . 1 1 A 75 75 VAL CB C 72 37.732 35.713 2.019 2
1 942 . 1 1 A 75 75 VAL N N 72 116.865 120.163 -3.298 2
1 943 . 1 1 A 76 76 VAL H H 73 9.006 9.289 -0.283 2
1 944 . 1 1 A 76 76 VAL HA H 73 4.190 4.697 -0.507 2
1 952 . 1 1 A 76 76 VAL C C 73 172.177 174.587 -2.410 2
1 953 . 1 1 A 76 76 VAL CA C 73 62.473 61.054 1.419 2
1 954 . 1 1 A 76 76 VAL CB C 73 32.388 32.476 -0.088 2
1 957 . 1 1 A 76 76 VAL N N 73 128.675 127.954 0.721 2
1 958 . 1 1 A 77 77 PHE H H 74 9.468 9.400 0.068 2
1 959 . 1 1 A 77 77 PHE HA H 74 5.019 5.305 -0.286 2
1 966 . 1 1 A 77 77 PHE C C 74 174.420 174.121 0.299 2
1 967 . 1 1 A 77 77 PHE CA C 74 54.378 55.626 -1.248 2
1 968 . 1 1 A 77 77 PHE CB C 74 42.230 40.884 1.346 2
1 969 . 1 1 A 77 77 PHE N N 74 130.014 128.142 1.872 2
1 970 . 1 1 A 78 78 VAL H H 75 8.990 8.926 0.064 2
1 971 . 1 1 A 78 78 VAL HA H 75 3.645 4.023 -0.378 2
1 979 . 1 1 A 78 78 VAL C C 75 174.813 175.435 -0.622 2
1 980 . 1 1 A 78 78 VAL CA C 75 64.452 63.509 0.943 2
1 981 . 1 1 A 78 78 VAL CB C 75 31.009 31.268 -0.259 2
1 984 . 1 1 A 78 78 VAL N N 75 128.474 127.081 1.393 2
1 985 . 1 1 A 79 79 ILE H H 76 8.679 9.149 -0.469 2
1 986 . 1 1 A 79 79 ILE HA H 76 4.171 4.113 0.058 2
1 996 . 1 1 A 79 79 ILE C C 76 176.092 175.915 0.178 2
1 997 . 1 1 A 79 79 ILE CA C 76 61.635 62.380 -0.745 2
1 998 . 1 1 A 79 79 ILE CB C 76 39.982 38.517 1.465 2
1 1002 . 1 1 A 79 79 ILE N N 76 122.334 128.827 -6.493 2
1 1003 . 1 1 A 80 80 SER H H 77 7.614 7.713 -0.099 2
1 1004 . 1 1 A 80 80 SER HA H 77 4.724 4.994 -0.270 2
1 1007 . 1 1 A 80 80 SER C C 77 172.545 172.206 0.339 2
1 1008 . 1 1 A 80 80 SER CA C 77 57.849 57.642 0.207 2
1 1009 . 1 1 A 80 80 SER CB C 77 64.733 66.577 -1.844 2
1 1010 . 1 1 A 80 80 SER N N 77 113.369 113.916 -0.547 2
1 1011 . 1 1 A 81 81 VAL H H 78 8.814 8.739 0.075 2
1 1012 . 1 1 A 81 81 VAL HA H 78 5.102 5.111 -0.009 2
1 1020 . 1 1 A 81 81 VAL C C 78 173.761 174.598 -0.837 2
1 1021 . 1 1 A 81 81 VAL CA C 78 61.004 59.818 1.186 2
1 1022 . 1 1 A 81 81 VAL CB C 78 34.638 35.786 -1.148 2
1 1025 . 1 1 A 81 81 VAL N N 78 123.792 121.729 2.063 2
1 1026 . 1 1 A 82 82 GLY H H 79 8.628 8.569 0.059 2
1 1027 . 1 1 A 82 82 GLY HA2 H 79 4.365 4.315 0.050 2
1 1028 . 1 1 A 82 82 GLY HA3 H 79 4.214 4.467 -0.253 2
1 1029 . 1 1 A 82 82 GLY C C 79 171.201 172.038 -0.837 2
1 1030 . 1 1 A 82 82 GLY CA C 79 45.606 45.464 0.142 2
1 1031 . 1 1 A 82 82 GLY N N 79 111.112 113.538 -2.426 2
1 1032 . 1 1 A 83 83 LYS H H 80 8.670 8.296 0.374 2
1 1033 . 1 1 A 83 83 LYS HA H 80 4.205 4.732 -0.527 2
1 1042 . 1 1 A 83 83 LYS C C 80 176.080 175.596 0.484 2
1 1043 . 1 1 A 83 83 LYS CA C 80 55.451 54.543 0.908 2
1 1044 . 1 1 A 83 83 LYS CB C 80 32.665 34.761 -2.096 2
1 1048 . 1 1 A 83 83 LYS N N 80 120.943 122.558 -1.615 2
1 1049 . 1 1 A 84 84 ALA H H 81 8.049 8.400 -0.351 2
1 1050 . 1 1 A 84 84 ALA HA H 81 4.182 4.672 -0.490 2
1 1054 . 1 1 A 84 84 ALA C C 81 176.941 177.388 -0.447 2
1 1055 . 1 1 A 84 84 ALA CA C 81 52.248 51.324 0.924 2
1 1056 . 1 1 A 84 84 ALA CB C 81 19.450 19.867 -0.417 2
1 1057 . 1 1 A 84 84 ALA N N 81 125.262 124.473 0.789 2
1 1058 . 1 1 A 85 85 GLU H H 82 8.460 8.651 -0.191 2
1 1059 . 1 1 A 85 85 GLU HA H 82 4.230 4.320 -0.090 2
1 1064 . 1 1 A 85 85 GLU C C 82 176.599 176.980 -0.381 2
1 1065 . 1 1 A 85 85 GLU CA C 82 56.446 57.926 -1.480 2
1 1066 . 1 1 A 85 85 GLU CB C 82 29.853 30.336 -0.483 2
1 1068 . 1 1 A 85 85 GLU N N 82 119.296 121.915 -2.619 2
1 1069 . 1 1 A 86 86 ALA H H 83 8.403 8.385 0.018 2
1 1070 . 1 1 A 86 86 ALA HA H 83 4.149 4.419 -0.270 2
1 1074 . 1 1 A 86 86 ALA C C 83 177.777 177.269 0.508 2
1 1075 . 1 1 A 86 86 ALA CA C 83 53.448 52.774 0.674 2
1 1076 . 1 1 A 86 86 ALA CB C 83 18.887 19.562 -0.675 2
1 1077 . 1 1 A 86 86 ALA N N 83 124.833 120.948 3.885 2
1 1078 . 1 1 A 87 87 SER H H 84 8.301 8.195 0.106 2
1 1079 . 1 1 A 87 87 SER HA H 84 4.297 4.609 -0.312 2
1 1082 . 1 1 A 87 87 SER C C 84 175.370 175.038 0.331 2
1 1083 . 1 1 A 87 87 SER N N 84 113.395 110.220 3.175 2
1 1084 . 1 1 A 88 88 GLU H H 85 8.271 8.139 0.132 2
1 1085 . 1 1 A 88 88 GLU HA H 85 4.239 4.028 0.211 2
1 1090 . 1 1 A 88 88 GLU C C 85 177.081 178.763 -1.682 2
1 1091 . 1 1 A 88 88 GLU CA C 85 57.140 59.299 -2.159 2
1 1092 . 1 1 A 88 88 GLU CB C 85 29.856 29.403 0.453 2
1 1094 . 1 1 A 88 88 GLU N N 85 122.554 121.324 1.230 2
1 1095 . 1 1 A 89 89 VAL H H 86 7.833 7.745 0.088 2
1 1096 . 1 1 A 89 89 VAL HA H 86 3.895 3.877 0.018 2
1 1104 . 1 1 A 89 89 VAL C C 86 177.172 177.386 -0.214 2
1 1105 . 1 1 A 89 89 VAL CA C 86 63.045 65.077 -2.032 2
1 1106 . 1 1 A 89 89 VAL CB C 86 32.107 31.315 0.792 2
1 1109 . 1 1 A 89 89 VAL N N 86 119.916 117.564 2.352 2
1 1110 . 1 1 A 90 90 TYR H H 87 8.142 7.559 0.583 2
1 1111 . 1 1 A 90 90 TYR HA H 87 4.479 4.358 0.121 2
1 1118 . 1 1 A 90 90 TYR C C 87 176.637 178.370 -1.733 2
1 1119 . 1 1 A 90 90 TYR CA C 87 58.545 60.623 -2.078 2
1 1120 . 1 1 A 90 90 TYR CB C 87 37.732 38.531 -0.799 2
1 1121 . 1 1 A 90 90 TYR N N 87 122.303 121.749 0.554 2
1 1122 . 1 1 A 91 91 SER H H 88 8.090 8.424 -0.334 2
1 1123 . 1 1 A 91 91 SER HA H 88 4.335 4.241 0.094 2
1 1126 . 1 1 A 91 91 SER C C 88 176.130 176.722 -0.592 2
1 1127 . 1 1 A 91 91 SER CA C 88 59.899 61.819 -1.920 2
1 1128 . 1 1 A 91 91 SER CB C 88 62.483 62.835 -0.352 2
1 1129 . 1 1 A 91 91 SER N N 88 115.828 116.271 -0.443 2
1 1130 . 1 1 A 92 92 GLU H H 89 8.234 7.884 0.350 2
1 1131 . 1 1 A 92 92 GLU HA H 89 4.213 4.056 0.157 2
1 1136 . 1 1 A 92 92 GLU C C 89 177.600 178.810 -1.210 2
1 1137 . 1 1 A 92 92 GLU CA C 89 57.701 59.102 -1.401 2
1 1138 . 1 1 A 92 92 GLU CB C 89 29.575 29.223 0.352 2
1 1140 . 1 1 A 92 92 GLU N N 89 121.225 121.729 -0.504 2
1 1141 . 1 1 A 93 93 ALA H H 90 7.960 7.831 0.129 2
1 1142 . 1 1 A 93 93 ALA HA H 90 4.025 4.118 -0.093 2
1 1146 . 1 1 A 93 93 ALA C C 90 178.550 179.557 -1.007 2
1 1147 . 1 1 A 93 93 ALA CA C 90 54.225 55.073 -0.848 2
1 1148 . 1 1 A 93 93 ALA CB C 90 18.325 18.561 -0.237 2
1 1149 . 1 1 A 93 93 ALA N N 90 122.055 122.655 -0.600 2
1 1150 . 1 1 A 94 94 VAL H H 91 7.799 8.310 -0.511 2
1 1151 . 1 1 A 94 94 VAL HA H 91 3.818 3.853 -0.035 2
1 1159 . 1 1 A 94 94 VAL CA C 91 64.167 65.122 -0.955 2
1 1160 . 1 1 A 94 94 VAL CB C 91 31.825 31.275 0.550 2
1 1163 . 1 1 A 94 94 VAL N N 91 115.727 117.089 -1.362 2
1 1164 . 1 1 A 95 95 LYS H H 92 7.764 7.939 -0.175 2
1 1165 . 1 1 A 95 95 LYS HA H 92 4.197 4.216 -0.019 2
1 1174 . 1 1 A 95 95 LYS C C 92 177.600 178.425 -0.825 2
1 1175 . 1 1 A 95 95 LYS CA C 92 57.139 59.016 -1.877 2
1 1176 . 1 1 A 95 95 LYS CB C 92 32.600 32.327 0.273 2
1 1180 . 1 1 A 95 95 LYS N N 92 120.823 121.998 -1.175 2
1 1181 . 1 1 A 96 96 ARG H H 93 7.970 7.796 0.174 2
1 1182 . 1 1 A 96 96 ARG HA H 93 4.341 4.191 0.150 2
1 1189 . 1 1 A 96 96 ARG C C 93 179.703 177.743 1.960 2
1 1190 . 1 1 A 96 96 ARG CA C 93 56.295 58.404 -2.109 2
1 1191 . 1 1 A 96 96 ARG CB C 93 31.400 30.228 1.172 2
1 1194 . 1 1 A 96 96 ARG N N 93 119.070 119.306 -0.236 2
1 1195 . 1 1 A 97 97 ILE H H 94 8.012 7.627 0.385 2
1 1196 . 1 1 A 97 97 ILE HA H 94 4.216 4.089 0.127 2
1 1206 . 1 1 A 97 97 ILE C C 94 175.509 176.226 -0.716 2
1 1207 . 1 1 A 97 97 ILE CA C 94 61.362 62.940 -1.578 2
1 1208 . 1 1 A 97 97 ILE CB C 94 38.576 38.025 0.551 2
1 1212 . 1 1 A 97 97 ILE N N 94 120.512 119.425 1.087 2
stop_
save_